Geometry & MOs

Info

ID:	380787
PubChem CID:	134971348
Reduced:	O2N5C10H16 (1)
Stoich.:	A2B5C10D16 (1)
Weight, g/mol:	330.07316
ΔH_f, kcal/mol:	44.81
Dipole, Da:	7.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755360
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromoethyl)-N,N-dimethyl-6H-phenanthridin-6-amine

Drug info:

PubChemData

Smile

CNC12C=CC(=C3N1C(CN3)C[NH+]2C)[N+](=O)[O-]

DOS

IR

Vibrations