Geometry & MOs

Info

ID:	416352
PubChem CID:	135089365
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	371.246044
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	4.71
IP(EA), eV:	-9.62(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CC1(CC1)C(=O)N(CCO)CC2=NC=CN2

DOS

IR

Vibrations