Geometry & MOs

Info

ID:	253179
PubChem CID:	103116559
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-84.12
Dipole, Da:	6.42
IP(EA), eV:	-9.19(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxy-3-methylbutyl)-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(CCCC(=O)O)C(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations