Geometry & MOs

Info

ID:	16219
PubChem CID:	461921
Reduced:	ClO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	373.130553
ΔH_f, kcal/mol:	-13.96
Dipole, Da:	3.56
IP(EA), eV:	-7.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-N-[2-(2,5-dimethoxyphenyl)ethyl]quinazoline-2,4,6-triamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CCNC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

DOS

IR

Vibrations