Geometry & MOs

Info

ID:	321952
PubChem CID:	126667496
Reduced:	PO6C8H9 (1)
Stoich.:	AB6C8D9 (1)
Weight, g/mol:	487.233188
ΔH_f, kcal/mol:	-305.71
Dipole, Da:	6.08
IP(EA), eV:	-10.02(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)O)OP(=O)(O)O

DOS

IR

Vibrations