Geometry & MOs

Info

ID:	433689
PubChem CID:	135173829
Reduced:	ON9C38H41 (1)
Stoich.:	AB9C38D41 (1)
Weight, g/mol:	140.065972
ΔH_f, kcal/mol:	107.63
Dipole, Da:	5.04
IP(EA), eV:	-8.45(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-6-methylidene-2,3-dihydrothiopyran

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=NC3=C2N=CC(=C3)CNCC(C)O)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations