Geometry & MOs

Info

ID:	277342
PubChem CID:	103827973
Reduced:	BrO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	386.12051
ΔH_f, kcal/mol:	-4.61
Dipole, Da:	3.84
IP(EA), eV:	-9.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(2-bromo-5-methoxyphenyl)methylamino]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNCC2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations