Geometry & MOs

Info

ID:	422377
PubChem CID:	135117712
Reduced:	N5C18H25 (1)
Stoich.:	A5B18C25 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	65.39
Dipole, Da:	8.6
IP(EA), eV:	-8.0(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CCN(C)CC3=NN=CN3C(C)C

DOS

IR

Vibrations