Geometry & MOs

Info

ID:	335624
PubChem CID:	127254486
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	310.154209
ΔH_f, kcal/mol:	9.94
Dipole, Da:	3.18
IP(EA), eV:	-8.51(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-N-quinolin-8-yl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)N2CCCC2C3=NC4=CC=CC=C4S3)C

DOS

IR

Vibrations