Geometry & MOs

Info

ID:	420934
PubChem CID:	135115060
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	-105.33
Dipole, Da:	2.78
IP(EA), eV:	-8.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methylpropyl)-4-[1-(4-phenoxyphenyl)tetrazol-5-yl]piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N)NC(=O)C1=C(ON=C1N2CCCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations