Geometry & MOs

Info

ID:	161439
PubChem CID:	57391682
Reduced:	N2O3C27H30 (1)
Stoich.:	A2B3C27D30 (1)
Weight, g/mol:	441.145534
ΔH_f, kcal/mol:	-56.28
Dipole, Da:	3.53
IP(EA), eV:	-8.74(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[1-[1-(3-chlorophenyl)pyrazol-4-yl]oxybutyl]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations