Geometry & MOs

Info

ID:	422400
PubChem CID:	135117774
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	2.59
IP(EA), eV:	-8.63(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-[(4-methylnaphthalen-1-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CN3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations