Geometry & MOs

Info

ID:	332901
PubChem CID:	127251325
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	434.211804
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	6.27
IP(EA), eV:	-9.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyridin-2-yl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)CCC3CCCC3)NC4=NC=CC=N4

DOS

IR

Vibrations