Geometry & MOs

Info

ID:	164386
PubChem CID:	74393542
Reduced:	O2C65H68 (1)
Stoich.:	A2B65C68 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	448.19
Dipole, Da:	4.84
IP(EA), eV:	-8.3(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[formyl(5-methoxypent-4-enyl)amino]acetate

Drug info:

Smile

CC(C)(C(=O)OC)C12C3C4C5C6C7C8C9C%10C%11C%12C9C9C7C7C5C3C3C5C7C9C7C%12C9C%12C%11C%11C%13C%10C%10C8C6C6C4C4C1C1C8C%14C(C%11C%12C%11C%14C%12C1C2C3C1C5C7C9C%11C1%12)C1C%13C%10C6C4C18

DOS

IR

Vibrations