Geometry & MOs

Info

ID:	18737
PubChem CID:	547046
Reduced:	OCl2N4H30C31 (1)
Stoich.:	AB2C4D30E31 (1)
Weight, g/mol:	544.179667
ΔH_f, kcal/mol:	64.15
Dipole, Da:	4.83
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,6-bis[2-(4-chlorophenyl)ethenyl]pyrimidin-4-yl]amino]-2-(diethylaminomethyl)phenol

Drug info:

PubChemData

Smile

CCN(CC)CC1=C(C=CC(=C1)NC2=NC(=NC(=C2)C=CC3=CC=C(C=C3)Cl)C=CC4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations