Geometry & MOs

Info

ID:	148818
PubChem CID:	53788487
Reduced:	IO2C5H7 (1)
Stoich.:	AB2C5D7 (1)
Weight, g/mol:	391.171834
ΔH_f, kcal/mol:	-60.5
Dipole, Da:	2.39
IP(EA), eV:	-9.95(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylphenyl)methyl]-N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C(=C)CI

DOS

IR

Vibrations