Geometry & MOs

Info

ID:	321865
PubChem CID:	126667094
Reduced:	O3C7H12 (2)
Stoich.:	A3B7C12 (2)
Weight, g/mol:	502.244087
ΔH_f, kcal/mol:	-292.4
Dipole, Da:	3.74
IP(EA), eV:	-9.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1-methylpyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(COC(=O)CCC(=O)C(=O)C(C)(C)O)C(C)(C)O

DOS

IR

Vibrations