Geometry & MOs

Info

ID:	129774
PubChem CID:	51073813
Reduced:	FN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-75.75
Dipole, Da:	7.77
IP(EA), eV:	-8.5(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[[methyl(pyrimidin-2-yl)amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=CC=C3)F)C(=O)C

DOS

IR

Vibrations