Geometry & MOs

Info

ID:	381342
PubChem CID:	134972047
Reduced:	OPH18C20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	322.12559
ΔH_f, kcal/mol:	56.44
Dipole, Da:	1.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.858204
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[3-bromopropyl(ethyl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C\1=CC=C/C1=C/[O-])P(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations