Geometry & MOs

Info

ID:	29517
PubChem CID:	834640
Reduced:	NOSC7H8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	308.209993
ΔH_f, kcal/mol:	-32.02
Dipole, Da:	7.61
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations