Geometry & MOs

Info

ID:	55107
PubChem CID:	17389773
Reduced:	NO6C15H19 (1)
Stoich.:	AB6C15D19 (1)
Weight, g/mol:	299.092436
ΔH_f, kcal/mol:	-221.9
Dipole, Da:	2.7
IP(EA), eV:	-8.59(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)azepane;oxalic acid

Drug info:

PubChemData

Smile

C1CCNC(C1)C2=CC3=C(C=C2)OCCO3.C(=O)(C(=O)O)O

DOS

IR

Vibrations