Geometry & MOs

Info

ID:

79995

PubChem CID:

49832069

Reduced:

N2O6C35H50 (1)

Stoich.:

A2B6C35D50 (1)

Weight, g/mol:

427.200825

ΔHf, kcal/mol:

-269.72

Dipole, Da:

5.34

IP(EA), eV:

 -8.63(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[5-[[[(3S)-1-(3,4-dihydro-2H-chromen-4-yl)-2-oxopyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C

DOS

IR

Vibrations