Geometry & MOs

Info

ID:	252064
PubChem CID:	103108808
Reduced:	FO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	243.077454
ΔH_f, kcal/mol:	-121.04
Dipole, Da:	5.97
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-(cyclopropylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC(=O)NC1=CC=C(C=C1)F

DOS

IR

Vibrations