Geometry & MOs

Info

ID:	122512
PubChem CID:	50809887
Reduced:	O2S2N7C18H19 (1)
Stoich.:	A2B2C7D18E19 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	63.77
Dipole, Da:	3.16
IP(EA), eV:	-8.48(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethylbenzoyl)-1-(3-ethylphenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CCC2=NC(=NO2)CSC3=NC4=C(N3)C=C(C=C4)C

DOS

IR

Vibrations