Geometry & MOs

Info

ID:	197046
PubChem CID:	78912632
Reduced:	ClN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	27.36
Dipole, Da:	0.78
IP(EA), eV:	-8.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NCC2=CN3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations