Geometry & MOs

Info

ID:	261475
PubChem CID:	103235420
Reduced:	BrNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	2.48
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(2-methylcyclohexyl)amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(C2=CC=CC=C2)C(=O)O)C)Br

DOS

IR

Vibrations