Geometry & MOs

Info

ID:	136301
PubChem CID:	52014552
Reduced:	ClON2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	378.124739
ΔH_f, kcal/mol:	7.84
Dipole, Da:	3.59
IP(EA), eV:	-8.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)C2=CC3=C(N2C)C=CC=C3Cl

DOS

IR

Vibrations