Geometry & MOs

Info

ID:	317704
PubChem CID:	126645209
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	405.266779
ΔH_f, kcal/mol:	-83.51
Dipole, Da:	5.02
IP(EA), eV:	-8.65(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCOC3=C2C=C(C=C3)C(=O)NO

DOS

IR

Vibrations