Geometry & MOs

Info

ID:	333598
PubChem CID:	127252150
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	414.205576
ΔH_f, kcal/mol:	-56.49
Dipole, Da:	5.66
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-indol-5-ylmethyl)-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)C(=O)C2CCN(CC2)C)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations