Geometry & MOs

Info

ID:	252623
PubChem CID:	103112747
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	293.101171
ΔH_f, kcal/mol:	-37.92
Dipole, Da:	4.09
IP(EA), eV:	-10.38(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyl-3-nitrophenyl)methylcarbamoylamino]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2C(=C(N=N2)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations