Geometry & MOs

Info

ID:	138589
PubChem CID:	52389661
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	337.115679
ΔH_f, kcal/mol:	-7.53
Dipole, Da:	3.29
IP(EA), eV:	-8.56(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cyclopropyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCO[C@H](C2)C3=CC=C(C=C3)OC)CC=C

DOS

IR

Vibrations