Geometry & MOs

Info

ID:

168932

PubChem CID:

75041861

Reduced:

NO2C26H39 (1)

Stoich.:

AB2C26D39 (1)

Weight, g/mol:

618.277753

ΔHf, kcal/mol:

-101.87

Dipole, Da:

4.06

IP(EA), eV:

 -8.53(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[2-hydroxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(C)C(C)C1=CC(=O)C2=C(CC(OC2=C1)(C)C)C=C3CCNCC3

DOS

IR

Vibrations