Geometry & MOs

Info

ID:	252688
PubChem CID:	103113247
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	311.114903
ΔH_f, kcal/mol:	-30.96
Dipole, Da:	4.26
IP(EA), eV:	-10.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2C(=C(N=N2)C(=O)OCC(C)C)C

DOS

IR

Vibrations