Geometry & MOs

Info

ID:	142753
PubChem CID:	53086293
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-108.27
Dipole, Da:	5.12
IP(EA), eV:	-8.66(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CCN(C)C(=O)NC2=CC=C(C=C2)CC(=O)OCC)C

DOS

IR

Vibrations