Geometry & MOs

Info

ID:	201245
PubChem CID:	79511325
Reduced:	FNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-96.08
Dipole, Da:	5.35
IP(EA), eV:	-9.03(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-(2,4-dimethoxyphenyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)NC2=C(C(=CC=C2)F)C(=O)O

DOS

IR

Vibrations