Geometry & MOs

Info

ID:	336165
PubChem CID:	127255172
Reduced:	N3O5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	-205.45
Dipole, Da:	4.67
IP(EA), eV:	-8.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(azepane-1-carbonyl)-2-methoxyphenyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C(=O)[C@@H](NC2=O)CC(=O)NC3CCCCCC3)OC

DOS

IR

Vibrations