Geometry & MOs

Info

ID:	332143
PubChem CID:	127250429
Reduced:	FO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-55.09
Dipole, Da:	6.69
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-[2-(3,4-dimethylphenyl)acetyl]morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCCC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CNN=C4)F

DOS

IR

Vibrations