Geometry & MOs

Info

ID:	333444
PubChem CID:	127251996
Reduced:	ON4C24H26 (1)
Stoich.:	AB4C24D26 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	27.94
Dipole, Da:	2.99
IP(EA), eV:	-8.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyridin-3-yl]piperidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=NC=C(C=C2)C3CCCCN3C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations