Geometry & MOs

Info

ID:	294802
PubChem CID:	117497031
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-48.42
Dipole, Da:	4.31
IP(EA), eV:	-8.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(8-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine

Drug info:

PubChemData

Smile

CC1(COC2=C(C=C(C(=C2)C3(CC3)N)Br)OC1)C

DOS

IR

Vibrations