Geometry & MOs

Info

ID:	147607
PubChem CID:	53787263
Reduced:	N2O6H14C15 (1)
Stoich.:	A2B6C14D15 (1)
Weight, g/mol:	405.187484
ΔH_f, kcal/mol:	-137.07
Dipole, Da:	2.36
IP(EA), eV:	-10.73(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dipropyl-7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-1H-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C

DOS

IR

Vibrations