Geometry & MOs

Info

ID:	330764
PubChem CID:	127248171
Reduced:	FON4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-10.15
Dipole, Da:	4.16
IP(EA), eV:	-8.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[4-(3-methoxyanilino)-6-methylpyridin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)C3=CC=CC=N3)NC4=CC(=CC=C4)F

DOS

IR

Vibrations