Geometry & MOs

Info

ID:	330501
PubChem CID:	127247908
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-119.4
Dipole, Da:	3.35
IP(EA), eV:	-8.62(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CC(=O)N2CCN(CC(C2)C(=O)NC)C

DOS

IR

Vibrations