Geometry & MOs

Info

ID:	30199
PubChem CID:	840665
Reduced:	OCl2N2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	275.065454
ΔH_f, kcal/mol:	-12.43
Dipole, Da:	4.58
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=C(C=C(C=C1)Cl)Cl)[C@@H]2C[C@H]3CC[C@@H]2C3

DOS

IR

Vibrations