Geometry & MOs

Info

ID:	318213
PubChem CID:	126649604
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	545.275053
ΔH_f, kcal/mol:	-64.29
Dipole, Da:	5.52
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[5-(2-hydroxyethoxy)indol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(C(=C2C3CCCC3)C(=O)N)OCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations