Geometry & MOs

Info

ID:	254644
PubChem CID:	103126693
Reduced:	N4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	40.11
Dipole, Da:	1.95
IP(EA), eV:	-9.05(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(oxan-2-ylmethyl)-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCNC(CC1CCCCC1)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations