Geometry & MOs

Info

ID:	419785
PubChem CID:	135109058
Reduced:	ClN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	363.219829
ΔH_f, kcal/mol:	-46.26
Dipole, Da:	3.08
IP(EA), eV:	-9.12(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[4-(2-methylphenyl)phenyl]methanone

Drug info:

PubChemData

Smile

CN(CC1CCC1)C2=NOC(=C2C(=O)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations