Geometry & MOs

Info

ID:	439370
PubChem CID:	135229143
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	376.166604
ΔH_f, kcal/mol:	-87.71
Dipole, Da:	6.82
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[6-[[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]oxy]-2-methylpyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=CN1CCC=O)O

DOS

IR

Vibrations