Geometry & MOs

Info

ID:	354767
PubChem CID:	127287527
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-90.03
Dipole, Da:	3.22
IP(EA), eV:	-8.1(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)NC2=CC3=C(C=C2)N(C=C3)CCN4CCOCC4

DOS

IR

Vibrations