Geometry & MOs

Info

ID:	256245
PubChem CID:	103137935
Reduced:	NC3H3 (5)
Stoich.:	AB3C3 (5)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	86.17
Dipole, Da:	3.03
IP(EA), eV:	-8.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CNC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations