Geometry & MOs

Info

ID:	216192
PubChem CID:	85085864
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	240.126263
ΔH_f, kcal/mol:	11.05
Dipole, Da:	3.28
IP(EA), eV:	-9.94(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1CC(C1(C#N)C#N)C2=CC=CC=C2

DOS

IR

Vibrations