Geometry & MOs

Info

ID:	205530
PubChem CID:	80117682
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	272.109169
ΔH_f, kcal/mol:	-69.05
Dipole, Da:	2.87
IP(EA), eV:	-9.23(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)C(CC(C)C)CN

DOS

IR

Vibrations