Geometry & MOs

Info

ID:	207509
PubChem CID:	80406902
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-55.08
Dipole, Da:	4.33
IP(EA), eV:	-8.22(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropyl-2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(COC)C(C)C

DOS

IR

Vibrations