Geometry & MOs

Info

ID:	130661
PubChem CID:	51091928
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-36.06
Dipole, Da:	4.99
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3-methoxy-4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CC=N3)OC

DOS

IR

Vibrations