Geometry & MOs

Info

ID:

421563

PubChem CID:

135116210

Reduced:

N6O7C35H48 (1)

Stoich.:

A6B7C35D48 (1)

Weight, g/mol:

357.205242

ΔHf, kcal/mol:

-277.83

Dipole, Da:

11.13

IP(EA), eV:

 -9.23(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,7-dimethoxy-1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C(=O)CCOC)C3=CC=CC=C3

DOS

IR

Vibrations