Geometry & MOs

Info

ID:	174685
PubChem CID:	75806460
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	333.192666
ΔH_f, kcal/mol:	14.7
Dipole, Da:	13.56
IP(EA), eV:	-7.5(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-hydroxy-4-(4-methylpiperazin-1-ium-1-ylidene)cyclobut-2-en-1-one

Drug info:

PubChemData

Smile

CN1CC[N+](=C2C(=C(C2=O)O)NCC(C3=CC=CO3)[NH+](C)C)CC1

DOS

IR

Vibrations