Geometry & MOs

Info

ID:

420954

PubChem CID:

135115118

Reduced:

N7O7C35H45 (1)

Stoich.:

A7B7C35D45 (1)

Weight, g/mol:

357.194008

ΔHf, kcal/mol:

-209.37

Dipole, Da:

12.55

IP(EA), eV:

 -8.85(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(4-methoxy-3-prop-2-ynoxyphenyl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](COC2=CC=C(C[C@@H](C(=O)N1)NC(=O)C3=CN(C=N3)C)C=C2)CC4=CC=CC=C4)C(C)C)[C@@H](C)O

DOS

IR

Vibrations