Geometry & MOs

Info

ID:	174911
PubChem CID:	75831224
Reduced:	Cl2N3O3C16H18 (1)
Stoich.:	A2B3C3D16E18 (1)
Weight, g/mol:	346.158923
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	6.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.989574
Charge, e:	1

Chem-info

IUPAC name:

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(4-methoxyphenyl)pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)C[NH+](C)C2C(CC3=C2C=C(C=C3Cl)Cl)O

DOS

IR

Vibrations