Geometry & MOs

Info

ID:	421387
PubChem CID:	135115904
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	363.143035
ΔH_f, kcal/mol:	-83.99
Dipole, Da:	3.9
IP(EA), eV:	-9.18(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1C=CC=C1C(=O)NC2CCC(=O)N(C2)C

DOS

IR

Vibrations