Geometry & MOs

Info

ID:

173159

PubChem CID:

75604990

Reduced:

O3N4C21H24 (2)

Stoich.:

A3B4C21D24 (2)

Weight, g/mol:

576.158263

ΔHf, kcal/mol:

-125.91

Dipole, Da:

5.05

IP(EA), eV:

 -8.65(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[[4-(3,5-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrrolidin-1-yl]methyl]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

COC(=O)NC(C1CC1)C(=O)N2CCCC2C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)C7C8CCC(C8)N7C(=O)C(C9CC9)NC(=O)OC

DOS

IR

Vibrations