Geometry & MOs

Info

ID:	136246
PubChem CID:	52007153
Reduced:	O4N5C22H27 (1)
Stoich.:	A4B5C22D27 (1)
Weight, g/mol:	402.201553
ΔH_f, kcal/mol:	-40.61
Dipole, Da:	8.24
IP(EA), eV:	-8.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[(1-propan-2-yltetrazol-5-yl)methoxy]benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)COC2=CC=C(C=C2)C(=O)N(C)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations