Geometry & MOs

Info

ID:	167484
PubChem CID:	74834834
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-34.85
Dipole, Da:	2.97
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2-phenylethenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC=C2)C=CC3=CC=CC=C3

DOS

IR

Vibrations