Geometry & MOs

Info

ID:	337454
PubChem CID:	127257139
Reduced:	SO2N5C12H19 (1)
Stoich.:	AB2C5D12E19 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	5.88
Dipole, Da:	3.52
IP(EA), eV:	-9.03(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC1)C2=NC(=NC(=C2[N+](=O)[O-])N)SC

DOS

IR

Vibrations