Geometry & MOs

Info

ID:	424939
PubChem CID:	135124513
Reduced:	NOC5H10 (2)
Stoich.:	ABC5D10 (2)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-106.04
Dipole, Da:	4.12
IP(EA), eV:	-8.99(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-cyclopropyl-6,6-dimethyl-3-oxo-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CNC1CCC1)CNC(=O)O

DOS

IR

Vibrations