Geometry & MOs

Info

ID:	343897
PubChem CID:	127267073
Reduced:	N5C17H25 (1)
Stoich.:	A5B17C25 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	59.01
Dipole, Da:	5.55
IP(EA), eV:	-8.91(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(CNCC1=NC=NN1C)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations