Geometry & MOs

Info

ID:	322560
PubChem CID:	126670507
Reduced:	O4N9C29H35 (1)
Stoich.:	A4B9C29D35 (1)
Weight, g/mol:	525.285223
ΔH_f, kcal/mol:	-41.82
Dipole, Da:	5.63
IP(EA), eV:	-7.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxy-2-[methyl(2-piperidin-1-ylethyl)amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)C(=O)N)N(C1=O)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC

DOS

IR

Vibrations