Geometry & MOs

Info

ID:	330453
PubChem CID:	127247857
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	-73.88
Dipole, Da:	3.87
IP(EA), eV:	-9.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-[(2,4-dimethoxyphenyl)methyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)N)C(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations