Geometry & MOs

Info

ID:	31332
PubChem CID:	855586
Reduced:	OSN3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-16.55
Dipole, Da:	4.01
IP(EA), eV:	-8.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]phenol

Drug info:

PubChemData

Smile

CC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NC(C)(C)C)N

DOS

IR

Vibrations