Geometry & MOs

Info

ID:	448954
PubChem CID:	135294711
Reduced:	NO5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	550.16919
ΔH_f, kcal/mol:	-233.94
Dipole, Da:	3.03
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-1-bromo-2-(methylamino)ethenyl]-2-[(1-methylpiperidin-4-yl)amino]-6-(4-phenylmethoxyanilino)pyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCNC(=O)C=O

DOS

IR

Vibrations