Geometry & MOs

Info

ID:	210218
PubChem CID:	80774990
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	312.161997
ΔH_f, kcal/mol:	-2.77
Dipole, Da:	3.68
IP(EA), eV:	-8.25(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=CC=C1)N(C)CC)[N+](=O)[O-]

DOS

IR

Vibrations