Geometry & MOs

Info

ID:	324203
PubChem CID:	126677133
Reduced:	OF3N3H14C18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	399.10452
ΔH_f, kcal/mol:	-94.17
Dipole, Da:	0.77
IP(EA), eV:	-8.81(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[(4-bromophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations