Geometry & MOs

Info

ID:	445880
PubChem CID:	135269858
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	232.134065
ΔH_f, kcal/mol:	70.23
Dipole, Da:	6.04
IP(EA), eV:	-8.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-phosphanyl-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=N/C(=C(/C)\N=C)/C1=NN=C(O1)N(C)C2CC=CC=C2)C3=CC=C(C=C3)C(=O)N(C)C

DOS

IR

Vibrations