Geometry & MOs

Info

ID:	252410
PubChem CID:	103111181
Reduced:	N2O4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	242.13789
ΔH_f, kcal/mol:	-53.12
Dipole, Da:	6.43
IP(EA), eV:	-10.11(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(4-hydroxybutyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C1=O)CC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations