Geometry & MOs

Info

ID:	142613
PubChem CID:	53066988
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	423.146203
ΔH_f, kcal/mol:	-12.07
Dipole, Da:	3.59
IP(EA), eV:	-8.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(3-chloro-4-methylphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)N2CCC3=C(C2)C(=NN3C)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations