Geometry & MOs

Info

ID:	133799
PubChem CID:	51590035
Reduced:	N2C10H17 (1)
Stoich.:	A2B10C17 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	40.23
Dipole, Da:	2.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754112
Charge, e:	0

Chem-info

IUPAC name:

4-[5-pyridin-4-yl-4-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC[C@@](C[NH3+])(C1=CC=CC=C1)N

DOS

IR

Vibrations