Geometry & MOs

Info

ID:	193457
PubChem CID:	78397669
Reduced:	ON6H18C19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	385.153875
ΔH_f, kcal/mol:	108.22
Dipole, Da:	2.26
IP(EA), eV:	-9.04(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-nitrophenyl)-3-phenyl-1,2,3,3a,4,5-hexahydropyrazolo[4,3-c][1,5]benzodiazepine

Drug info:

PubChemData

Smile

C=C1C(C(N2C(=N1)N=CN2)C3=CC=CC=N3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations