Geometry & MOs

Info

ID:	422209
PubChem CID:	135117404
Reduced:	ClON5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	323.165207
ΔH_f, kcal/mol:	72.75
Dipole, Da:	5.61
IP(EA), eV:	-8.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(4-chloro-2-methylphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)NCC2=NOC(=C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations