Geometry & MOs

Info

ID:	181905
PubChem CID:	76812708
Reduced:	ON5C27H33 (1)
Stoich.:	AB5C27D33 (1)
Weight, g/mol:	522.256623
ΔH_f, kcal/mol:	29.03
Dipole, Da:	6.96
IP(EA), eV:	-9.11(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-(1-methylpiperidin-4-yl)-4-[[4-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C2CNC(=O)C3C2NC(C(C3)C4=CC=CC=C4)C5=CC=C(C=C5)CN

DOS

IR

Vibrations