Geometry & MOs

Info

ID:	264207
PubChem CID:	103441183
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	265.19026
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	2.72
IP(EA), eV:	-8.61(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(C(C1)CN)C(=O)C2CSC3=CC=CC=C23

DOS

IR

Vibrations