Geometry & MOs

Info

ID:	333439
PubChem CID:	127251991
Reduced:	N5C22H25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	374.221895
ΔH_f, kcal/mol:	85.67
Dipole, Da:	4.16
IP(EA), eV:	-8.64(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-N-[5-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=NC=C(C=C2)C3CCCCN3CC4=CC=NC=C4

DOS

IR

Vibrations