Geometry & MOs

Info

ID:	182364
PubChem CID:	76880946
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	11.5
Dipole, Da:	0.97
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-5-[1-[(4-methylphenyl)methylamino]ethylidene]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#CCN)NC(=O)C2C=NC(=O)N2

DOS

IR

Vibrations