Geometry & MOs

Info

ID:	211081
PubChem CID:	80894235
Reduced:	N3C6H10 (2)
Stoich.:	A3B6C10 (2)
Weight, g/mol:	312.046316
ΔH_f, kcal/mol:	60.2
Dipole, Da:	2.29
IP(EA), eV:	-8.19(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-nitropyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)N(CC)C1=NC(=CN2C1=NC=C2)NN

DOS

IR

Vibrations