Geometry & MOs

Info

ID:	292827
PubChem CID:	117359671
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-12.59
Dipole, Da:	3.45
IP(EA), eV:	-8.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methyltriazol-2-yl)phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3(CC3)N=C=O)N(C1=O)C

DOS

IR

Vibrations