Geometry & MOs

Info

ID:	421888
PubChem CID:	135116775
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	34.38
Dipole, Da:	8.11
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,3R)-3-aminocyclopentyl]-5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)CNC3=NC=C(C(=N3)C)C(=O)C

DOS

IR

Vibrations