Geometry & MOs

Info

ID:	140778
PubChem CID:	52758303
Reduced:	N3O5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	390.214129
ΔH_f, kcal/mol:	-149.17
Dipole, Da:	2.87
IP(EA), eV:	-8.54(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC(=O)NCC2=CC3=C(C=C2)OCO3)OCC(=O)N(C)C

DOS

IR

Vibrations