Geometry & MOs

Info

ID:	436838
PubChem CID:	135212093
Reduced:	N4C7H18 (1)
Stoich.:	A4B7C18 (1)
Weight, g/mol:	682.420654
ΔH_f, kcal/mol:	34.22
Dipole, Da:	2.93
IP(EA), eV:	-8.8(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-5-[2-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-6-yl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CN(CCCN)CCCN=N

DOS

IR

Vibrations