Geometry & MOs

Info

ID:	296015
PubChem CID:	117550679
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	12.61
Dipole, Da:	3.26
IP(EA), eV:	-8.85(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxetan-3-yl]cyclopropan-1-amine

Drug info:

PubChemData

Smile

CC(C1(COC1)C2=CC=NC=C2)N3CCNCC3

DOS

IR

Vibrations