Geometry & MOs

Info

ID:	335633
PubChem CID:	127254495
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	241.153875
ΔH_f, kcal/mol:	-25.62
Dipole, Da:	13.08
IP(EA), eV:	-6.99(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-(2-methoxyethyl)-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC=CC=C12)NCCN3C(=O)C(C4CC3(OC5=CC=CC=C45)C)C(=O)N

DOS

IR

Vibrations