Geometry & MOs

Info

ID:	142611
PubChem CID:	53066986
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	409.130553
ΔH_f, kcal/mol:	-14.4
Dipole, Da:	5.76
IP(EA), eV:	-8.43(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(2-chlorophenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations