Geometry & MOs

Info

ID:	305744
PubChem CID:	124967434
Reduced:	ON6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	50.65
Dipole, Da:	6.88
IP(EA), eV:	-9.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2S)-1-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidin-2-yl]pyridin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)[C@@H]2CCCCN2C(=O)C3=CC=NC=C3)C4=NC=CN4C

DOS

IR

Vibrations