Geometry & MOs

Info

ID:	440162
PubChem CID:	135230071
Reduced:	Cl2N5O11C38H49 (1)
Stoich.:	A2B5C11D38E49 (1)
Weight, g/mol:	226.155552
ΔH_f, kcal/mol:	-434.17
Dipole, Da:	6.74
IP(EA), eV:	-8.66(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(1-carboxycyclopentyl)butylimino-methyliminoazanium

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)NC=O)NC(=O)C2=C(C=C(C=C2Cl)OCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)Cl

DOS

IR

Vibrations