Geometry & MOs

Info

ID:	306284
PubChem CID:	125003558
Reduced:	N4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	349.201494
ΔH_f, kcal/mol:	61.38
Dipole, Da:	2.45
IP(EA), eV:	-8.55(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)CN2CCN([C@H](C2)C3=CC=CC=C3)C

DOS

IR

Vibrations