Geometry & MOs

Info

ID:	252500
PubChem CID:	103111792
Reduced:	N4O4C11H18 (1)
Stoich.:	A4B4C11D18 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-128.95
Dipole, Da:	6.52
IP(EA), eV:	-9.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCNC(=O)C)C(=O)OCCOC

DOS

IR

Vibrations