Geometry & MOs

Info

ID:	322613
PubChem CID:	126670650
Reduced:	O3N9C26H31 (1)
Stoich.:	A3B9C26D31 (1)
Weight, g/mol:	497.253923
ΔH_f, kcal/mol:	50.44
Dipole, Da:	12.97
IP(EA), eV:	-8.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)N3C4=C(C=C(C=C4)CO)N=N3)OC

DOS

IR

Vibrations