Geometry & MOs

Info

ID:	161228
PubChem CID:	57391100
Reduced:	O5H14C16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	307.00687
ΔH_f, kcal/mol:	-166.71
Dipole, Da:	1.89
IP(EA), eV:	-8.97(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-bromophenyl)-6-N-methyl-5-nitrosopyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1[C@@](C(=O)C2=C(O1)C=C(C=C2)O)(CC3=CC=C(C=C3)O)O

DOS

IR

Vibrations