Geometry & MOs

Info

ID:

80233

PubChem CID:

49833667

Reduced:

O4N10C27H34 (1)

Stoich.:

A4B10C27D34 (1)

Weight, g/mol:

442.19288

ΔHf, kcal/mol:

-37.14

Dipole, Da:

3.42

IP(EA), eV:

 -8.62(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-(2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-[4-(difluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(CC1)C(=O)C2=NC3=C(N2C)N=C(N=C3N4CCOCC4)N5C6=CC=CC=C6N=C5N(C)C)O

DOS

IR

Vibrations