Geometry & MOs

Info

ID:	298399
PubChem CID:	117649173
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	564.204052
ΔH_f, kcal/mol:	38.56
Dipole, Da:	4.48
IP(EA), eV:	-9.65(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=C2C=CC=NC2=NC(=N1)C(C)C

DOS

IR

Vibrations