Geometry & MOs

Info

ID:	43571
PubChem CID:	10321484
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-87.81
Dipole, Da:	5.53
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[2-(dimethylamino)ethylamino]ethyl]-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C2C=CC=C(C2=N1)NC(=O)C3(CCC(CC3)NCC4=CC5=C(C=N4)OCCO5)O

DOS

IR

Vibrations