Geometry & MOs

Info

ID:	353091
PubChem CID:	127284248
Reduced:	O2N6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	40.33
Dipole, Da:	2.57
IP(EA), eV:	-9.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)NCC3=NC(=NO3)C)C

DOS

IR

Vibrations