Geometry & MOs

Info

ID:	270759
PubChem CID:	103637998
Reduced:	BrFON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	-46.88
Dipole, Da:	3.8
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(ethyl)amino]ethyl]-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)C1=CC(=C(C=C1)Br)F)C2CC2

DOS

IR

Vibrations