Geometry & MOs

Info

ID:	367534
PubChem CID:	127324902
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-101.81
Dipole, Da:	6.43
IP(EA), eV:	-8.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-[4-(4-methylcyclohexyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(CCCC4)NC3=O

DOS

IR

Vibrations