Geometry & MOs

Info

ID:	167192
PubChem CID:	74793213
Reduced:	N3O4C23H37 (1)
Stoich.:	A3B4C23D37 (1)
Weight, g/mol:	353.234137
ΔH_f, kcal/mol:	-62.02
Dipole, Da:	17.01
IP(EA), eV:	-5.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

C[NH+](CC1=C(C=C(C=C1)OC)OCC(C[NH+]2CCCCCCC2)O)CC3=NOC=C3

DOS

IR

Vibrations