Geometry & MOs

Info

ID:	189897
PubChem CID:	77921550
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	496.232185
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	5.26
IP(EA), eV:	-9.4(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[[1-(3-aminopropanoyl)-4-benzamidopyrrolidin-2-yl]methoxy]benzoyl]-methylamino]propanoic acid

Drug info:

PubChemData

Smile

C1CC(C(=O)N2CCCC2COC3=CC=CC(=C3)C(=O)NC1)N

DOS

IR

Vibrations