Geometry & MOs

Info

ID:	242785
PubChem CID:	99206306
Reduced:	O3N5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	376.201159
ΔH_f, kcal/mol:	22.19
Dipole, Da:	5.48
IP(EA), eV:	-8.64(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NNC(=N3)C4=CC=CC=N4)C

DOS

IR

Vibrations