Geometry & MOs

Info

ID:	209705
PubChem CID:	80706397
Reduced:	BrNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-46.52
Dipole, Da:	2.31
IP(EA), eV:	-8.78(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,3-dimethylcyclopentyl)amino]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)Br)NC2CCC(C2)(C)C

DOS

IR

Vibrations