Geometry & MOs

Info

ID:	402954
PubChem CID:	135058039
Reduced:	O3N6H22C23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	152.047831
ΔH_f, kcal/mol:	31.4
Dipole, Da:	2.27
IP(EA), eV:	-9.14(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-carboxy-4-chlorobutyl)azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=N1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations