Geometry & MOs

Info

ID:

165387

PubChem CID:

74544550

Reduced:

NO3C12H12 (1)

Stoich.:

AB3C12D12 (1)

Weight, g/mol:

268.02113

ΔHf, kcal/mol:

-83.18

Dipole, Da:

11.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.128774

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-bromophenyl)-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(C(=O)NC2=C1)CC(=O)[O-])C

DOS

IR

Vibrations