Geometry & MOs

Info

ID:	427007
PubChem CID:	135155001
Reduced:	ON3H10C11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	81.53
Dipole, Da:	5.01
IP(EA), eV:	-8.51(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC=C1)N(C2=CC=CC=C2)C3=CC(=C(C=C3)OC)N4C=C(C=N4)C=O

DOS

IR

Vibrations