Geometry & MOs

Info

ID:	174253
PubChem CID:	75744675
Reduced:	ON3C18H30 (1)
Stoich.:	AB3C18D30 (1)
Weight, g/mol:	340.202502
ΔH_f, kcal/mol:	-27.98
Dipole, Da:	5.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.986442
Charge, e:	1

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)(C)C)N1CC[NH+](CC1)CC2=CC=CC=C2

DOS

IR

Vibrations