Geometry & MOs

Info

ID:	323249
PubChem CID:	126673777
Reduced:	NO5C7H11 (1)
Stoich.:	AB5C7D11 (1)
Weight, g/mol:	398.03784
ΔH_f, kcal/mol:	-219.61
Dipole, Da:	4.94
IP(EA), eV:	-10.24(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-bromo-2,3,4,5-tetrahydro-1,5-benzoxazepin-6-yl)quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1C(CCN1C(=O)O)O

DOS

IR

Vibrations