Geometry & MOs

Info

ID:	70961
PubChem CID:	48414105
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	-91.44
Dipole, Da:	4.66
IP(EA), eV:	-9.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations