Geometry & MOs

Info

ID:	206431
PubChem CID:	80249524
Reduced:	ClNOSC9H12 (1)
Stoich.:	ABCDE9F12 (1)
Weight, g/mol:	252.075491
ΔH_f, kcal/mol:	-45.53
Dipole, Da:	2.22
IP(EA), eV:	-8.84(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethylthiophen-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CC1=CSC=C1CNC(=O)C(C)Cl

DOS

IR

Vibrations