Geometry & MOs

Info

ID:	446208
PubChem CID:	135273149
Reduced:	FO3N8C28H31 (1)
Stoich.:	AB3C8D28E31 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	10.47
IP(EA), eV:	-8.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C1=C(N=CN=C1OC2=C(C3=C(C=C2)NC(=C3)C)F)NC4=NC=C(C=C4)C(=O)N5CCN(CC5)C

DOS

IR

Vibrations