Geometry & MOs

Info

ID:	77861
PubChem CID:	49665805
Reduced:	FON4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	354.124739
ΔH_f, kcal/mol:	-9.71
Dipole, Da:	3.73
IP(EA), eV:	-9.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)C2=NC=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)C

DOS

IR

Vibrations