Geometry & MOs

Info

ID:	323254
PubChem CID:	126673811
Reduced:	N3O5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	398.03784
ΔH_f, kcal/mol:	-152.91
Dipole, Da:	6.5
IP(EA), eV:	-9.64(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC2=C(O1)C=CC(=N2)C(=O)OC

DOS

IR

Vibrations