Geometry & MOs

Info

ID:	336553
PubChem CID:	127255560
Reduced:	FO2N6C16H17 (1)
Stoich.:	AB2C6D16E17 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	-4.43
Dipole, Da:	5.34
IP(EA), eV:	-8.72(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)NC[C@H](CO)O)F

DOS

IR

Vibrations