Geometry & MOs

Info

ID:	165145
PubChem CID:	74505263
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	497.276395
ΔH_f, kcal/mol:	-43.96
Dipole, Da:	3.66
IP(EA), eV:	-8.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-hydroxy-N-(3-methoxyphenyl)-3-[[4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoyl]amino]azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(CN(C1)CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)O

DOS

IR

Vibrations