Geometry & MOs

Info

ID:	139312
PubChem CID:	52508015
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	374.153838
ΔH_f, kcal/mol:	-180.44
Dipole, Da:	5.77
IP(EA), eV:	-9.61(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N[C@H](C)CC[C@H]3CCCO3)NC1=O

DOS

IR

Vibrations