Geometry & MOs

Info

ID:	12851
PubChem CID:	146868
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-74.08
Dipole, Da:	5.87
IP(EA), eV:	-8.24(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethoxyphenyl)-1-ethyl-3-methyl-4-(2,4,6-trimethylphenyl)iminopyrimidin-2-one

Drug info:

PubChemData

Smile

CCN1C(=CC(=NC2=C(C=C(C=C2C)C)C)N(C1=O)C)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations