Geometry & MOs

Info

ID:	12237
PubChem CID:	133407
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	28.5
Dipole, Da:	7.19
IP(EA), eV:	-9.05(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations