Geometry & MOs

Info

ID:	271219
PubChem CID:	103648089
Reduced:	BrN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	282.205576
ΔH_f, kcal/mol:	-65.7
Dipole, Da:	6.45
IP(EA), eV:	-8.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(3-methylimidazol-4-yl)methylamino]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC2COC(CN2C1)CNCC3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations