Geometry & MOs

Info

ID:	350719
PubChem CID:	127279007
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-85.58
Dipole, Da:	5.57
IP(EA), eV:	-8.63(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethylpyrrolidin-1-yl)-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2CCOC3=CC=CC=C23)C

DOS

IR

Vibrations