Geometry & MOs

Info

ID:	330444
PubChem CID:	127247848
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-56.02
Dipole, Da:	10.05
IP(EA), eV:	-9.23(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-[(6-methylpyridin-3-yl)methyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)N)CC2=CN=CN2

DOS

IR

Vibrations