Geometry & MOs

Info

ID:	424351
PubChem CID:	135122324
Reduced:	ClNH18C23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	121.04
Dipole, Da:	1.54
IP(EA), eV:	-9.3(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-aminoethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2C=C(C=N2)Cl)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations