Geometry & MOs

Info

ID:	336554
PubChem CID:	127255561
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	424.177837
ΔH_f, kcal/mol:	48.9
Dipole, Da:	5.86
IP(EA), eV:	-7.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-1-N,1-N-dimethyl-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine;hydrochloride

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)C)OC

DOS

IR

Vibrations