Geometry & MOs

Info

ID:	51165
PubChem CID:	12013797
Reduced:	N3O6H19C30 (1)
Stoich.:	A3B6C19D30 (1)
Weight, g/mol:	478.225643
ΔH_f, kcal/mol:	-121.31
Dipole, Da:	6.09
IP(EA), eV:	-9.4(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-3-methyl-3-phenyl-2-(2-phenylpropylamino)-2,4-dihydro-1,4-benzoxazin-6-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C2=C1C(=O)C3=C4C5=CC=CC=C5NC4=C6C(=C3C2=O)C(=O)C7=C(C6=O)N(C(=O)C=C7C)C)C

DOS

IR

Vibrations