Geometry & MOs

Info

ID:	272215
PubChem CID:	103735937
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	23.64
Dipole, Da:	2.32
IP(EA), eV:	-8.96(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-[(1-methylcyclobutyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNCC2(CCC2)C

DOS

IR

Vibrations