Geometry & MOs

Info

ID:	285282
PubChem CID:	104098930
Reduced:	NC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	196.168797
ΔH_f, kcal/mol:	74.7
Dipole, Da:	4.61
IP(EA), eV:	-9.36(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNCCN2C=CN=N2

DOS

IR

Vibrations