Geometry & MOs

Info

ID:	321888
PubChem CID:	126667217
Reduced:	O2N7C28H35 (1)
Stoich.:	A2B7C28D35 (1)
Weight, g/mol:	472.269908
ΔH_f, kcal/mol:	33.31
Dipole, Da:	2.54
IP(EA), eV:	-7.97(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-[4-(1-methylpyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

Drug info:

PubChemData

Smile

CC(=N)C1=CC=CC=C1NC2=CC(=NC=C2)NC3=C(C=C(C(=C3)NC(=O)C=C)N(C)CCN(C)C)OC

DOS

IR

Vibrations