Geometry & MOs

Info

ID:	275877
PubChem CID:	103818598
Reduced:	BrNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	4.34
IP(EA), eV:	-8.5(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1(OC2=C(O1)C=C(C=C2)NCC3=C(C=CC(=C3)Br)O)C

DOS

IR

Vibrations