Geometry & MOs

Info

ID:

431423

PubChem CID:

135171498

Reduced:

BrO2N3H20C21 (1)

Stoich.:

AB2C3D20E21 (1)

Weight, g/mol:

597.250668

ΔHf, kcal/mol:

-11.13

Dipole, Da:

2.12

IP(EA), eV:

 -8.43(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[3-[(4-methoxypyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-4-methyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1Br)C(=O)NC2=CC=CC(=C2OC)C3=C(C(=CC=C3)N)C

DOS

IR

Vibrations