Geometry & MOs

Info

ID:	7178
PubChem CID:	71479
Reduced:	NO5C23H35 (1)
Stoich.:	AB5C23D35 (1)
Weight, g/mol:	405.251523
ΔH_f, kcal/mol:	-208.44
Dipole, Da:	3.39
IP(EA), eV:	-8.63(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine;but-2-enedioic acid

Drug info:

PubChemData

Smile

CN(C)CCCOC1(CCCCCC1)CC2=CC=CC=C2.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations