Geometry & MOs

Info

ID:	176661
PubChem CID:	76080312
Reduced:	ClN5O5C16H20 (1)
Stoich.:	AB5C5D16E20 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-171.12
Dipole, Da:	4.01
IP(EA), eV:	-10.09(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[2-(2-cyanocyclopentyl)-2-oxoethyl]amino]-1-adamantyl] N-(4-methoxyphenyl)carbamate

Drug info:

PubChemData

Smile

CCC(=O)NC(C1C2C(C(O1)N3C=NC4=C3N=CN=C4Cl)OC(O2)(C)C)O

DOS

IR

Vibrations