Geometry & MOs

Info

ID:	145328
PubChem CID:	53500890
Reduced:	N9C17H19 (1)
Stoich.:	A9B17C19 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	162.6
Dipole, Da:	8.26
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)C4=C(C(=C(N=N4)C)C)C#N

DOS

IR

Vibrations