Geometry & MOs

Info

ID:	333435
PubChem CID:	127251987
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	379.156373
ΔH_f, kcal/mol:	-6.69
Dipole, Da:	3.8
IP(EA), eV:	-8.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=O)N2CCCCC2C3=CN=C(C=C3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations