Geometry & MOs

Info

ID:	144408
PubChem CID:	53364441
Reduced:	O2C11H17 (2)
Stoich.:	A2B11C17 (2)
Weight, g/mol:	436.226312
ΔH_f, kcal/mol:	-202.67
Dipole, Da:	4.88
IP(EA), eV:	-9.34(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-phenylethyl)piperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1C[C@](C(=O)C(C1(C)C)C(=O)C)(CC=C(C)C)C(=O)OC)C

DOS

IR

Vibrations