Geometry & MOs

Info

ID:	366993
PubChem CID:	127322541
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	8.9
Dipole, Da:	4.71
IP(EA), eV:	-9.35(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)NCC3=CC=CC=C3N4C=CN=C4

DOS

IR

Vibrations