Geometry & MOs

Info

ID:	275223
PubChem CID:	103814674
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	-38.47
Dipole, Da:	7.07
IP(EA), eV:	-9.0(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(1-methylpyrrol-3-yl)methyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC1=CN(C=C1)C)N

DOS

IR

Vibrations