Geometry & MOs

Info

ID:	305745
PubChem CID:	124967519
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-23.61
Dipole, Da:	6.07
IP(EA), eV:	-9.9(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC1=NC=CC(=C1)[C@@H]2CCCN2C(=O)C(C)(C)N3C=NC=N3

DOS

IR

Vibrations