Geometry & MOs

Info

ID:	336556
PubChem CID:	127255563
Reduced:	ON6C22H24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	553.280138
ΔH_f, kcal/mol:	69.41
Dipole, Da:	4.54
IP(EA), eV:	-7.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]-prop-2-enoylamino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)N)N(C)C)OC

DOS

IR

Vibrations