Geometry & MOs

Info

ID:	424981
PubChem CID:	135124711
Reduced:	N4O4C35H38 (1)
Stoich.:	A4B4C35D38 (1)
Weight, g/mol:	276.12407
ΔH_f, kcal/mol:	-43.25
Dipole, Da:	3.88
IP(EA), eV:	-8.37(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2-chloroacetyl)-cyclobutylamino]-2,2-dimethylpropyl]carbamic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC=C(C=C2)N3C(=CC=N3)C4=CC5=C(C(=C4)OC)N(C(=O)C56CCC6)CC7=CC=C(C=C7)OC

DOS

IR

Vibrations