Geometry & MOs

Info

ID:	252510
PubChem CID:	103111844
Reduced:	O2N5C14H15 (1)
Stoich.:	A2B5C14D15 (1)
Weight, g/mol:	322.00654
ΔH_f, kcal/mol:	75.88
Dipole, Da:	4.98
IP(EA), eV:	-9.22(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=C(C(=NN2C)C)C#N

DOS

IR

Vibrations