Geometry & MOs

Info

ID:	1368
PubChem CID:	4250
Reduced:	SN2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	220.10342
ΔH_f, kcal/mol:	46.33
Dipole, Da:	2.03
IP(EA), eV:	-8.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C=CC2=NCCCN2C

DOS

IR

Vibrations