Geometry & MOs

Info

ID:	427236
PubChem CID:	135156334
Reduced:	FOSN5C22H26 (1)
Stoich.:	ABCD5E22F26 (1)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	-19.21
Dipole, Da:	10.02
IP(EA), eV:	-9.42(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-3-ethenyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=N1)C2=C(C(=O)N3CC(CSC3=N2)CN4CCCC4)C#N)F

DOS

IR

Vibrations