Geometry & MOs

Info

ID:	333029
PubChem CID:	127251453
Reduced:	ClO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	4.55
IP(EA), eV:	-9.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=NC=C(N=C3)C)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations