Geometry & MOs

Info

ID:	275265
PubChem CID:	103814911
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	261.187484
ΔH_f, kcal/mol:	-47.25
Dipole, Da:	5.44
IP(EA), eV:	-8.39(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-[ethyl(propyl)amino]ethyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCCN(CC)CCNC(=O)CC1=CC=C(C=C1)N

DOS

IR

Vibrations