Geometry & MOs

Info

ID:	175157
PubChem CID:	75862566
Reduced:	N3O3C23H34 (1)
Stoich.:	A3B3C23D34 (1)
Weight, g/mol:	356.245036
ΔH_f, kcal/mol:	-80.85
Dipole, Da:	8.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.067288
Charge, e:	1

Chem-info

IUPAC name:

[3-(2,5-dimethylpyrrolidin-1-ium-1-yl)piperidin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCCCOCCCNC(=O)C1CCC[NH+](C1)CC2=COC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations