Geometry & MOs

Info

ID:	123520
PubChem CID:	50852256
Reduced:	ClNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	6.08
Dipole, Da:	4.31
IP(EA), eV:	-9.06(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations