Geometry & MOs

Info

ID:	252712
PubChem CID:	103113511
Reduced:	O2N3C14H27 (1)
Stoich.:	A2B3C14D27 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-126.74
Dipole, Da:	2.83
IP(EA), eV:	-9.42(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1CCCC(C1N)C

DOS

IR

Vibrations