Geometry & MOs

Info

ID:	367535
PubChem CID:	127324903
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-115.8
Dipole, Da:	3.52
IP(EA), eV:	-8.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-methylcyclohexyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=C4C(=CC=C3)NC(=O)C(O4)C

DOS

IR

Vibrations