Geometry & MOs

Info

ID:	205326
PubChem CID:	80086450
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	303.9978
ΔH_f, kcal/mol:	-5.59
Dipole, Da:	7.12
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-chloroanilino)-3-methylbutanamide

Drug info:

PubChemData

Smile

CCN(CC1CCNCC1)C2=C(C=CC(=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations