Geometry & MOs

Info

ID:	252750
PubChem CID:	103113834
Reduced:	ON5C10H17 (1)
Stoich.:	AB5C10D17 (1)
Weight, g/mol:	297.099252
ΔH_f, kcal/mol:	4.91
Dipole, Da:	6.44
IP(EA), eV:	-8.36(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NN=C(C=C1)N

DOS

IR

Vibrations