Geometry & MOs

Info

ID:	164564
PubChem CID:	74417209
Reduced:	O3N5H29C30 (1)
Stoich.:	A3B5C29D30 (1)
Weight, g/mol:	382.170157
ΔH_f, kcal/mol:	-4.93
Dipole, Da:	6.42
IP(EA), eV:	-8.85(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCC(C(=O)N1)C(=O)NC2C3=CC=CC=C3C4=CC=CC=C24)CC5=NN=C(O5)C6=CC=CC=C6

DOS

IR

Vibrations