Geometry & MOs

Info

ID:	376519
PubChem CID:	134222537
Reduced:	N6O9H30C32 (1)
Stoich.:	A6B9C30D32 (1)
Weight, g/mol:	311.12486
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	8.26
IP(EA), eV:	-8.44(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-decylaniline

Drug info:

PubChemData

Smile

CCN(CCOC1=CC(=CC(=C1)C(=O)O)C(=O)O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3OC)N=NC4=CC=C(C=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations