Geometry & MOs

Info

ID:	330526
PubChem CID:	127247933
Reduced:	O3N4C16H28 (1)
Stoich.:	A3B4C16D28 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-150.73
Dipole, Da:	6.39
IP(EA), eV:	-9.14(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)CC(=O)N2CCCCC2

DOS

IR

Vibrations