Geometry & MOs

Info

ID:	208144
PubChem CID:	80500630
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	-75.27
Dipole, Da:	4.48
IP(EA), eV:	-8.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(morpholine-4-carbonyl)cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1(CSC(N1)C2=CC=C(C=C2)C(=O)OC)C

DOS

IR

Vibrations