Geometry & MOs

Info

ID:	19130
PubChem CID:	555156
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	43.66
Dipole, Da:	4.0
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-3,5,6-trimethyl-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine

Drug info:

PubChemData

Smile

CC1C(=NC2=C(N=C1OC)N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations