Geometry & MOs

Info

ID:	305390
PubChem CID:	124807079
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	395.17644
ΔH_f, kcal/mol:	-65.84
Dipole, Da:	2.84
IP(EA), eV:	-8.6(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]propyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@H](C1)[C@@H](CCN2CC3=C(NC4=C3C=CC=N4)[C@@H]5CCCO5)O

DOS

IR

Vibrations