Geometry & MOs

Info

ID:	270776
PubChem CID:	103638073
Reduced:	ON2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-25.73
Dipole, Da:	3.42
IP(EA), eV:	-8.72(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[cyclopropyl(ethyl)amino]ethylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCN(CCNC(=O)/C=C/C)C1CC1

DOS

IR

Vibrations