Geometry & MOs

Info

ID:	271730
PubChem CID:	103689793
Reduced:	SO2N6C10H10 (1)
Stoich.:	AB2C6D10E10 (1)
Weight, g/mol:	324.160456
ΔH_f, kcal/mol:	99.28
Dipole, Da:	2.85
IP(EA), eV:	-8.55(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[3-(2-chlorophenyl)cyclobutyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC2=C(N3C=CSC3=N2)[N+](=O)[O-])C

DOS

IR

Vibrations