Geometry & MOs

Info

ID:	336555
PubChem CID:	127255562
Reduced:	ClON6C22H25 (1)
Stoich.:	ABC6D22E25 (1)
Weight, g/mol:	388.201159
ΔH_f, kcal/mol:	34.88
Dipole, Da:	4.82
IP(EA), eV:	-7.74(-0.57)
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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations