Geometry & MOs

Info

ID:	195561
PubChem CID:	78701236
Reduced:	F2N4O5C18H22 (1)
Stoich.:	A2B4C5D18E22 (1)
Weight, g/mol:	274.191937
ΔH_f, kcal/mol:	-307.55
Dipole, Da:	3.52
IP(EA), eV:	-9.4(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cyclopropyl-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NCC(=O)NC)CCC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations