Geometry & MOs

Info

ID:	415093
PubChem CID:	135088079
Reduced:	NO2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	374.15902
ΔH_f, kcal/mol:	-76.7
Dipole, Da:	1.52
IP(EA), eV:	-8.64(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-dimethoxyphenyl)ethyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2C)CN(C)C3C[C@@H]4CC(C[C@@H]4C3)O

DOS

IR

Vibrations