Geometry & MOs

Info

ID:	437992
PubChem CID:	135227445
Reduced:	ON4C8H10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	443.145676
ΔH_f, kcal/mol:	23.1
Dipole, Da:	5.35
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2H-1,4-diazepin-3-ylmethyl)-6-[2-ethoxy-4-(trifluoromethyl)phenyl]-4H-1,3-benzoxazin-2-one

Drug info:

PubChemData

Smile

CC1NC=CN1C(=O)N2C=CN=C2

DOS

IR

Vibrations