Geometry & MOs

Info

ID:	293188
PubChem CID:	117376393
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-118.59
Dipole, Da:	5.06
IP(EA), eV:	-9.61(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]cyclopropan-1-amine

Drug info:

PubChemData

Smile

C1COCCC1C2=CC=C(C=C2)C(CN)C(=O)O

DOS

IR

Vibrations