Geometry & MOs

Info

ID:	390860
PubChem CID:	135001318
Reduced:	NO4C29H33 (1)
Stoich.:	AB4C29D33 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-101.87
Dipole, Da:	2.25
IP(EA), eV:	-8.75(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(5-phenyltetrazol-1-yl)hexan-2-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)C(CC(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations