Geometry & MOs

Info

ID:	353092
PubChem CID:	127284249
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-34.97
Dipole, Da:	4.59
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC5=NC(=NO5)C

DOS

IR

Vibrations