Geometry & MOs

Info

ID:	123139
PubChem CID:	50834956
Reduced:	O4N5C26H29 (1)
Stoich.:	A4B5C26D29 (1)
Weight, g/mol:	493.247775
ΔH_f, kcal/mol:	-102.2
Dipole, Da:	5.92
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCC3=C(C2)C(=NN3C)CN(C4=CC=CC=C4)C(=O)C

DOS

IR

Vibrations