Geometry & MOs

Info

ID:	174478
PubChem CID:	75768594
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-76.95
Dipole, Da:	6.42
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trimethyl-2-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(C(=O)N2C)(C)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations