Geometry & MOs

Info

ID:	126676
PubChem CID:	50973085
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	313.226646
ΔH_f, kcal/mol:	-17.96
Dipole, Da:	5.16
IP(EA), eV:	-9.01(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-4-amine

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1OCC=C)C(=O)C2=NC(=NC=C2)C(C)C

DOS

IR

Vibrations