Geometry & MOs

Info

ID:	252403
PubChem CID:	103111121
Reduced:	N3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	256.153541
ΔH_f, kcal/mol:	92.05
Dipole, Da:	4.13
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(4-methoxybutan-2-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC2=NC=CN3C2=NN=C3C

DOS

IR

Vibrations