Geometry & MOs

Info

ID:	160626
PubChem CID:	57389255
Reduced:	NPO8C9H18 (1)
Stoich.:	ABC8D9E18 (1)
Weight, g/mol:	406.179361
ΔH_f, kcal/mol:	-438.73
Dipole, Da:	5.02
IP(EA), eV:	-10.38(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-methylindazol-5-yl)-4-quinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(C(C1O)O)COP(=O)(O)O)O

DOS

IR

Vibrations