Geometry & MOs

Info

ID:	330533
PubChem CID:	127247940
Reduced:	O3N4C17H30 (1)
Stoich.:	A3B4C17D30 (1)
Weight, g/mol:	341.125467
ΔH_f, kcal/mol:	-156.11
Dipole, Da:	3.4
IP(EA), eV:	-9.1(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)C(=O)CCCN2CCCC2

DOS

IR

Vibrations