Geometry & MOs

Info

ID:	55032
PubChem CID:	17389681
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	-192.07
Dipole, Da:	3.27
IP(EA), eV:	-8.95(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methyl]azepane;oxalic acid

Drug info:

PubChemData

Smile

C1CCC(NCC1)C2CCC2.C(=O)(C(=O)O)O

DOS

IR

Vibrations