Geometry & MOs

Info

ID:	137939
PubChem CID:	52288454
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	2.71
Dipole, Da:	4.81
IP(EA), eV:	-9.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C(=O)N[C@@H]2CCCC3=C2C=NN3CC4=CC=CC=C4

DOS

IR

Vibrations