Geometry & MOs

Info

ID:	294587
PubChem CID:	117472182
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-148.51
Dipole, Da:	5.07
IP(EA), eV:	-8.43(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1C(CC(=O)O)C2CC2)OC)OC

DOS

IR

Vibrations