Geometry & MOs

Info

ID:	69306
PubChem CID:	46530631
Reduced:	ClON2H7C8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	-19.47
Dipole, Da:	3.99
IP(EA), eV:	-8.58(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantylcarbamoylamino)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations