Geometry & MOs

Info

ID:	342271
PubChem CID:	127265048
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-21.4
Dipole, Da:	3.48
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-[1-(2-ethoxybenzoyl)piperidin-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)N2CCC(C2=O)NC(=O)CSC3=CC=CC=C3)C

DOS

IR

Vibrations