Geometry & MOs

Info

ID:	133757
PubChem CID:	51586744
Reduced:	S2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	315.08639
ΔH_f, kcal/mol:	86.18
Dipole, Da:	1.67
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[(6-methylpyridin-2-yl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN[C@@H](CC2=CSC=C2)C3=NC=CS3

DOS

IR

Vibrations