Geometry & MOs

Info

ID:	224896
PubChem CID:	85643456
Reduced:	N2O3H10C13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	221.025898
ΔH_f, kcal/mol:	-13.38
Dipole, Da:	5.34
IP(EA), eV:	-8.91(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(2-methyl-3-nitrophenyl)methanethioamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=COC3=NC=NC(=O)C23

DOS

IR

Vibrations