Geometry & MOs

Info

ID:	390610
PubChem CID:	134999978
Reduced:	O5H16C17 (1)
Stoich.:	A5B16C17 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-91.14
Dipole, Da:	4.49
IP(EA), eV:	-9.67(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(5-phenyltetrazol-1-yl)pentanal

Drug info:

PubChemData

Smile

C1[C@H](OOC1(C(=O)OCC2=CC=CC=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations