Geometry & MOs

Info

ID:	148596
PubChem CID:	53788264
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	436.391646
ΔH_f, kcal/mol:	-52.1
Dipole, Da:	4.9
IP(EA), eV:	-8.34(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;methyl (Z)-7-[(1R,2S)-2-[4-methoxy-4-(1-methylcyclobutyl)butyl]-5-methylidenecyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CCC1=C(N2C(CC(CC2=N1)C)C)N(C)C(=O)C

DOS

IR

Vibrations