Geometry & MOs

Info

ID:	28457
PubChem CID:	827729
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	347.115758
ΔH_f, kcal/mol:	7.74
Dipole, Da:	5.5
IP(EA), eV:	-9.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-4-(4-methylphenyl)phenyl] 2-nitrobenzoate

Drug info:

PubChemData

Smile

C1CCN(CC1)NC(=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations