Geometry & MOs

Info

ID:

445711

PubChem CID:

135269037

Reduced:

OPN7H24C25 (1)

Stoich.:

ABC7D24E25 (1)

Weight, g/mol:

488.223512

ΔHf, kcal/mol:

110.86

Dipole, Da:

7.11

IP(EA), eV:

 -8.52(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(1,1-difluoroethoxy)phenoxy]-N-(3-hydroxypropyl)-6-(methylamino)-3-[(6-methylpyridin-3-yl)methyl]-3,4-dihydropyridine-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC2=C(N=CN=C21)CC3=CC(=C(C=C3)P)C4=NC=NC5=C4C=CC(=C5)N6CCOCC6

DOS

IR

Vibrations