Geometry & MOs

Info

ID:	332908
PubChem CID:	127251332
Reduced:	OF2N5H23C25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	434.223038
ΔH_f, kcal/mol:	-39.75
Dipole, Da:	4.55
IP(EA), eV:	-8.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[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

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)C3=CC4=C(N3C)C=CC(=C4)F)NC5=NC=C(C=C5)F

DOS

IR

Vibrations