Geometry & MOs

Info

ID:	423937
PubChem CID:	135120802
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	-51.24
Dipole, Da:	6.03
IP(EA), eV:	-9.26(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-4-N-methyl-6-N-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)N2CCC(C2)CN)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations