Geometry & MOs

Info

ID:	183627
PubChem CID:	77046358
Reduced:	O2N5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	9.13
Dipole, Da:	0.65
IP(EA), eV:	-9.12(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenylprop-2-enoxymethyl)cycloheptan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=NO)N)C(=O)NCC2=NC=CN2

DOS

IR

Vibrations