Geometry & MOs

Info

ID:	180055
PubChem CID:	76570526
Reduced:	OSN6C21H22 (1)
Stoich.:	ABC6D21E22 (1)
Weight, g/mol:	515.28964
ΔH_f, kcal/mol:	68.97
Dipole, Da:	3.94
IP(EA), eV:	-9.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[5-(7,7-dimethyl-5-phenyl-2,3,5,6-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,3,4-oxadiazol-2-yl]pentan-3-yl]benzoate

Drug info:

PubChemData

Smile

CC1(CC(N=C2N1NCC2C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CC=N5)C

DOS

IR

Vibrations