Geometry & MOs

Info

ID:	399971
PubChem CID:	135044262
Reduced:	INOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-10.16
Dipole, Da:	2.7
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C1=O)C)CI

DOS

IR

Vibrations