Geometry & MOs

Info

ID:	49928
PubChem CID:	11538200
Reduced:	ON2C25H38 (1)
Stoich.:	AB2C25D38 (1)
Weight, g/mol:	382.13203
ΔH_f, kcal/mol:	-33.68
Dipole, Da:	1.91
IP(EA), eV:	-8.65(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(1R)-1-[2-(5-chloro-2-fluorophenyl)tetrazol-5-yl]ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(CNCCC1=CC=C(C=C1)OC)NCC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations