Geometry & MOs

Info

ID:	146798
PubChem CID:	53752202
Reduced:	ClN4O6C17H17 (1)
Stoich.:	AB4C6D17E17 (1)
Weight, g/mol:	302.116761
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	4.99
IP(EA), eV:	-10.09(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5H-pyrimido[5,4-d][2]benzazepin-5-yl)phenyl]hydroxylamine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C=C[C@@H](N2N1C(=O)N(C2=O)CCCl)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations