Geometry & MOs

Info

ID:	161251
PubChem CID:	57391161
Reduced:	N2O2H13C17 (2)
Stoich.:	A2B2C13D17 (2)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	131.3
Dipole, Da:	5.91
IP(EA), eV:	-9.15(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-(4-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2=C3C(=[N+](C=C2C4=CC=CC=C4)[O-])C(=NO3)C)C5=C6C(=[N+](C=C5C7=CC=CC=C7)[O-])C(=NO6)C

DOS

IR

Vibrations