Geometry & MOs

Info

ID:	251800
PubChem CID:	103107039
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	397.02872
ΔH_f, kcal/mol:	-55.16
Dipole, Da:	2.71
IP(EA), eV:	-8.77(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[(4-iodophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1C2=CC=CC=C2CCC1(C)C

DOS

IR

Vibrations