Geometry & MOs

Info

ID:	274328
PubChem CID:	103808569
Reduced:	BrON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	312.08373
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	4.69
IP(EA), eV:	-9.09(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)(C(=O)NC2=C(C(=CC=C2)Br)C)N

DOS

IR

Vibrations