Geometry & MOs

Info

ID:	416356
PubChem CID:	135089369
Reduced:	N3O4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-99.48
Dipole, Da:	2.64
IP(EA), eV:	-8.69(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-isoquinolin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CC3=C(C(=C2)OC)OCO3

DOS

IR

Vibrations