Geometry & MOs

Info

ID:	342087
PubChem CID:	127264800
Reduced:	OS2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	292.132411
ΔH_f, kcal/mol:	19.3
Dipole, Da:	3.18
IP(EA), eV:	-9.2(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methoxyphenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine

Drug info:

PubChemData

Smile

CC(=CC1=CN=C(S1)C(C)(C)C)C2=NC3=C(C=CS3)C(=O)N2

DOS

IR

Vibrations