Geometry & MOs

Info

ID:	325306
PubChem CID:	126682606
Reduced:	N5H37C51 (1)
Stoich.:	A5B37C51 (1)
Weight, g/mol:	317.141579
ΔH_f, kcal/mol:	220.29
Dipole, Da:	1.07
IP(EA), eV:	-8.04(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(N-(2-methylphenyl)anilino)benzoate

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC6=C(C=C5)C(C7=CC=CC8=C7N6C9=CC=CC=C89)(C)C)N2C3=CC=CC=C3C3=C2C1=CC=C3)C

DOS

IR

Vibrations