Geometry & MOs

Info

ID:	402226
PubChem CID:	135055040
Reduced:	NO3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	204.102941
ΔH_f, kcal/mol:	-60.5
Dipole, Da:	5.06
IP(EA), eV:	-8.39(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(E)-but-1-enyl]pyrrolidin-1-ium-2-carboxamide;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C[C@@H](C1=CC=CC=C1)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations