Geometry & MOs

Info

ID:	137940
PubChem CID:	52288563
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	397.172559
ΔH_f, kcal/mol:	-33.85
Dipole, Da:	4.83
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H](CNC(=O)CN2C=C(C3=CC=CC=C32)C(=O)N)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations