Geometry & MOs

Info

ID:	305669
PubChem CID:	124964639
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	434.223038
ΔH_f, kcal/mol:	-50.12
Dipole, Da:	3.82
IP(EA), eV:	-8.65(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyridin-2-yl]pyrrolidin-1-yl]-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1COC[C@@H](CN1CC2=CC3=C(C=C2)OCCO3)CC4=NC=NC=C4

DOS

IR

Vibrations