Geometry & MOs

Info

ID:	14875
PubChem CID:	423256
Reduced:	Cl4N4C17H18 (1)
Stoich.:	A4B4C17D18 (1)
Weight, g/mol:	420.025607
ΔH_f, kcal/mol:	64.43
Dipole, Da:	5.86
IP(EA), eV:	-9.12(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-chloro-2-(trichloromethyl)quinazolin-4-yl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C=CCN(CCNC1=NC(=NC2=C1C=C(C=C2)Cl)C(Cl)(Cl)Cl)CC=C

DOS

IR

Vibrations