Geometry & MOs

Info

ID:	320005
PubChem CID:	126657825
Reduced:	N5C25H29 (1)
Stoich.:	A5B25C29 (1)
Weight, g/mol:	281.199094
ΔH_f, kcal/mol:	257.37
Dipole, Da:	3.17
IP(EA), eV:	-8.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C/C(=C/C(=N\N/C(=C/C=C\C=C)/C=C)/C=C)/C(=N/N=N/C(=C/C=C)/C=C\C=C)/C=C

DOS

IR

Vibrations