Geometry & MOs

Info

ID:	217356
PubChem CID:	85087677
Reduced:	NO4C20H37 (1)
Stoich.:	AB4C20D37 (1)
Weight, g/mol:	355.251129
ΔH_f, kcal/mol:	-257.68
Dipole, Da:	2.86
IP(EA), eV:	-9.65(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[1-(2,6-dimethylheptan-4-yl)indol-5-yl]but-2-enoate

Drug info:

PubChemData

Smile

CC1(N(C(C(O1)CCCO)CC2CCCCC2)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations