Geometry & MOs

Info

ID:	349648
PubChem CID:	127275800
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	4.54
IP(EA), eV:	-9.26(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=N1)C(=O)CNC(=O)NC2C3CC4CC(C3)CC2C4

DOS

IR

Vibrations