Geometry & MOs

Info

ID:	422154
PubChem CID:	135117303
Reduced:	OF3N3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-143.67
Dipole, Da:	3.53
IP(EA), eV:	-9.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC2=C(C=CC=N2)C(F)(F)F)CC3=CC=NC=C3

DOS

IR

Vibrations