Geometry & MOs

Info

ID:	70953
PubChem CID:	48414094
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	342.148061
ΔH_f, kcal/mol:	-1.25
Dipole, Da:	1.2
IP(EA), eV:	-8.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

DOS

IR

Vibrations