Geometry & MOs

Info

ID:	155380
PubChem CID:	56353004
Reduced:	BrN2O2C21H31 (1)
Stoich.:	AB2C2D21E31 (1)
Weight, g/mol:	426.11542
ΔH_f, kcal/mol:	-90.06
Dipole, Da:	5.03
IP(EA), eV:	-9.0(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[4-(4-bromophenyl)oxane-4-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(C)CNC(=O)C2(CCOCC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations