Geometry & MOs

Info

ID:	332910
PubChem CID:	127251334
Reduced:	FO2N6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	434.211804
ΔH_f, kcal/mol:	-36.5
Dipole, Da:	8.28
IP(EA), eV:	-9.0(-0.83)
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]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCC(C2)C3=NC(=CC(=C3)NC4=NC=C(C=C4)F)C

DOS

IR

Vibrations