Geometry & MOs

Info

ID:	342305
PubChem CID:	127265082
Reduced:	NSO2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	285.195346
ΔH_f, kcal/mol:	-80.48
Dipole, Da:	4.05
IP(EA), eV:	-8.43(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC=CCS(=O)CC(=O)NCCC1=C(C=C(C=C1C)C)C

DOS

IR

Vibrations