Geometry & MOs

Info

ID:	342464
PubChem CID:	127265619
Reduced:	SN3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	276.066555
ΔH_f, kcal/mol:	116.31
Dipole, Da:	2.18
IP(EA), eV:	-9.21(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C(S2)C=CC3=NC=NC=C3

DOS

IR

Vibrations