Geometry & MOs

Info

ID:	251824
PubChem CID:	103107184
Reduced:	ClON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-49.41
Dipole, Da:	6.16
IP(EA), eV:	-9.06(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[4-(dimethylamino)-4-oxobutyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1CC2=C(C1)C=C(C=C2)Cl

DOS

IR

Vibrations