Geometry & MOs

Info

ID:	160655
PubChem CID:	57389328
Reduced:	FN3O4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	451.200825
ΔH_f, kcal/mol:	-123.62
Dipole, Da:	5.07
IP(EA), eV:	-9.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-ethoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)C2C3=C(C=C(C=C3)N)C(=O)N(C2=O)O)F

DOS

IR

Vibrations