Geometry & MOs

Info

ID:	1753
PubChem CID:	4989
Reduced:	SN2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	206.08777
ΔH_f, kcal/mol:	56.16
Dipole, Da:	3.17
IP(EA), eV:	-8.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine

Drug info:

PubChemData

Smile

CN1CCCN=C1C=CC2=CC=CS2

DOS

IR

Vibrations