Geometry & MOs

Info

ID:	167485
PubChem CID:	74834835
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	356.200097
ΔH_f, kcal/mol:	33.81
Dipole, Da:	4.2
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-benzylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations