Geometry & MOs

Info

ID:	441375
PubChem CID:	135234425
Reduced:	O2C21H26 (1)
Stoich.:	A2B21C26 (1)
Weight, g/mol:	186.090546
ΔH_f, kcal/mol:	-44.8
Dipole, Da:	2.14
IP(EA), eV:	-8.92(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(pyridazin-4-ylmethyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2C(=O)C(C(C2=O)CC(C)C)CC#C)C

DOS

IR

Vibrations