Geometry & MOs

Info

ID:	25195
PubChem CID:	620933
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	515.196714
ΔH_f, kcal/mol:	-189.08
Dipole, Da:	4.67
IP(EA), eV:	-9.82(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-2-[4-[3-(diethylaminomethyl)-4-ethoxyanilino]-6-methylpyrimidin-2-yl]guanidine

Drug info:

PubChemData

Smile

CC(=O)C1(CC(=O)C2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O

DOS

IR

Vibrations