Geometry & MOs

Info

ID:	133216
PubChem CID:	51494763
Reduced:	SO3N5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-28.4
Dipole, Da:	9.17
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]-[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N(C[C@H]2CCCO2)C3=NC4=C(S3)CCC5=C4C=NN5C

DOS

IR

Vibrations