Geometry & MOs

Info

ID:	46430
PubChem CID:	10524387
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-68.38
Dipole, Da:	5.51
IP(EA), eV:	-8.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-benzyl-4-N-cyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@H]([C@@H]2CCCN2C(=O)C3=CC=CC=C31)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations