Geometry & MOs

Info

ID:	15970
PubChem CID:	456609
Reduced:	ClN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	439.166269
ΔH_f, kcal/mol:	-79.59
Dipole, Da:	3.29
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-[[(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=NNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations