Geometry & MOs

Info

ID:	268877
PubChem CID:	103601411
Reduced:	N2O5C11H14 (1)
Stoich.:	A2B5C11D14 (1)
Weight, g/mol:	354.99747
ΔH_f, kcal/mol:	-127.68
Dipole, Da:	10.58
IP(EA), eV:	-9.71(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-chloro-N-[(2,4-dimethoxyphenyl)methyl]aniline

Drug info:

PubChemData

Smile

CCC(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations