Geometry & MOs

Info

ID:	58342
PubChem CID:	24697886
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-73.47
Dipole, Da:	1.95
IP(EA), eV:	-9.28(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2-methylphenyl)-4-butoxybenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1=O)C(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations