Geometry & MOs

Info

ID:	236097
PubChem CID:	92711519
Reduced:	O2N4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	418.294391
ΔH_f, kcal/mol:	-33.61
Dipole, Da:	9.27
IP(EA), eV:	-8.91(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[N-(3-ethoxypropyl)-C-[4-[(2S)-4-methylpentan-2-yl]piperazin-1-yl]carbonimidoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(C)C)N1CCN(CC1)C(=NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations