Geometry & MOs

Info

ID:	59720
PubChem CID:	24894869
Reduced:	O5C9H14 (2)
Stoich.:	A5B9C14 (2)
Weight, g/mol:	422.196743
ΔH_f, kcal/mol:	-481.84
Dipole, Da:	1.64
IP(EA), eV:	-10.4(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(2S)-2-amino-2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(naphthalen-2-ylmethyl)pyrazin-2-amine

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)O[C@](O2)(C)OC(C)(C)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations