Geometry & MOs

Info

ID:	252024
PubChem CID:	103108541
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	328.07864
ΔH_f, kcal/mol:	-5.13
Dipole, Da:	4.47
IP(EA), eV:	-9.24(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-5-methoxyphenyl)methylamino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(CC#N)C1=CC=CC=C1

DOS

IR

Vibrations