Geometry & MOs

Info

ID:	336004
PubChem CID:	127255011
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	460.202989
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	4.03
IP(EA), eV:	-9.36(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-[(2S)-2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-pyrrol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)CCCC(=O)N3CCNC(=O)C3

DOS

IR

Vibrations