Geometry & MOs

Info

ID:	159304
PubChem CID:	57269534
Reduced:	O2N3C19H33 (1)
Stoich.:	A2B3C19D33 (1)
Weight, g/mol:	201.057198
ΔH_f, kcal/mol:	-113.96
Dipole, Da:	1.68
IP(EA), eV:	-8.96(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)acetonitrile

Drug info:

PubChemData

Smile

CCCCCCCCC(C1=CC(=C(C=C1)CC(N)N)OC)C(=O)N

DOS

IR

Vibrations