Geometry & MOs

Info

ID:	209995
PubChem CID:	80748923
Reduced:	BrN4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	351.03309
ΔH_f, kcal/mol:	46.41
Dipole, Da:	5.37
IP(EA), eV:	-8.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-bromo-2-methylphenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1NC2=C(C=C(C=C2)Br)C)NCC

DOS

IR

Vibrations