Geometry & MOs

Info

ID:	419241
PubChem CID:	135107816
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	401.188546
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	6.32
IP(EA), eV:	-9.51(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N-methyl-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C(=O)O)NC(=O)C2=CC=CN2C

DOS

IR

Vibrations