Geometry & MOs

Info

ID:	389963
PubChem CID:	134996261
Reduced:	BPC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	112.2
Dipole, Da:	1.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751320
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3,5-dimethylanilino)carbamate

Drug info:

PubChemData

Smile

[B].CP(C1=CC=CC=C1)C(=C)C2=CC=CC=C2

DOS

IR

Vibrations