Geometry & MOs

Info

ID:	252417
PubChem CID:	103111211
Reduced:	O3N4C9H16 (1)
Stoich.:	A3B4C9D16 (1)
Weight, g/mol:	292.164774
ΔH_f, kcal/mol:	-90.35
Dipole, Da:	2.31
IP(EA), eV:	-10.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(C)O)CN

DOS

IR

Vibrations