Geometry & MOs

Info

ID:	134565
PubChem CID:	51714544
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	28.48
Dipole, Da:	2.47
IP(EA), eV:	-8.53(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N/N=C\C2=CC=CC=C2OC(C)C)C

DOS

IR

Vibrations