Geometry & MOs

Info

ID:	192290
PubChem CID:	78253282
Reduced:	N4O4C17H18 (1)
Stoich.:	A4B4C17D18 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-103.25
Dipole, Da:	3.71
IP(EA), eV:	-8.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-3,3a,4,5,7,7a-hexahydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)N1C(C=C(N1)C2C(=O)N(C(=O)N(C2=O)C)C)C3=CC=CC=C3

DOS

IR

Vibrations