Geometry & MOs

Info

ID:	167206
PubChem CID:	74793227
Reduced:	N2O3C28H37 (1)
Stoich.:	A2B3C28D37 (1)
Weight, g/mol:	448.272593
ΔH_f, kcal/mol:	-63.84
Dipole, Da:	1.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752297
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-[[8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC(=O)NCC2CCC3(O2)CC[NH+](CC3)CCCC4=CC=CC=C4

DOS

IR

Vibrations