Geometry & MOs

Info

ID:	265900
PubChem CID:	103556080
Reduced:	ClNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	355.07831
ΔH_f, kcal/mol:	-33.31
Dipole, Da:	1.91
IP(EA), eV:	-9.2(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-methoxycyclobutyl)ethanamine

Drug info:

PubChemData

Smile

COC1(CCC1)CC(C2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations