Geometry & MOs

Info

ID:	293042
PubChem CID:	117370942
Reduced:	OSN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	13.58
Dipole, Da:	3.71
IP(EA), eV:	-8.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropyl]methanamine

Drug info:

PubChemData

Smile

CC1(OC2=C(C=CC=C2S1)C3=C(NN=C3)N)C

DOS

IR

Vibrations