Geometry & MOs

Info

ID:	251802
PubChem CID:	103107053
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-7.49
Dipole, Da:	5.77
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-(4-methylcyclohexyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CN=CC2=CC=CC=C21

DOS

IR

Vibrations