Geometry & MOs

Info

ID:	365146
PubChem CID:	127316950
Reduced:	N5C19H25 (1)
Stoich.:	A5B19C25 (1)
Weight, g/mol:	389.232794
ΔH_f, kcal/mol:	52.26
Dipole, Da:	7.39
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6-piperidin-1-ylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1NC2CCN3C2CCCC3)C4=CC=NC=C4)C

DOS

IR

Vibrations