Geometry & MOs

Info

ID:	289681
PubChem CID:	104366752
Reduced:	NOSC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-25.67
Dipole, Da:	4.54
IP(EA), eV:	-8.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)C1CCCN(CC1)C2=CSC(=C2)C=O

DOS

IR

Vibrations