Geometry & MOs

Info

ID:	418708
PubChem CID:	135106629
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	434.177647
ΔH_f, kcal/mol:	18.43
Dipole, Da:	4.1
IP(EA), eV:	-9.65(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-N-(2-phenylethyl)-7-(1H-pyrrole-2-carbonyl)-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN(C)CC1=CC2=NON=C2C=C1

DOS

IR

Vibrations