Geometry & MOs

Info

ID:

80253

PubChem CID:

49833741

Reduced:

IN3O5C30H34 (1)

Stoich.:

AB3C5D30E34 (1)

Weight, g/mol:

603.312848

ΔHf, kcal/mol:

-10.44

Dipole, Da:

21.81

IP(EA), eV:

 -8.04(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-methylpiperidin-4-yl) N-[5-[3-[4-[(tert-butyl-hydroxy-methylsilyl)oxymethyl]anilino]-3-oxopropyl]-2-phenylphenyl]carbamate

Drug info:

PubChemData

Smile

C[N+]1(CCC(CC1)OC(=O)NC2=C(C=C(C=C2)CCC(=O)NC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4)C.I

DOS

IR

Vibrations