Geometry & MOs

Info

ID:	414507
PubChem CID:	135087466
Reduced:	NO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	345.230394
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	4.0
IP(EA), eV:	-8.35(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-3-(3-methoxy-4-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCCN2CCC[C@]3(C2)CCC[C@H]3O)C

DOS

IR

Vibrations