Geometry & MOs

Info

ID:	414332
PubChem CID:	135087288
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	316.134241
ΔH_f, kcal/mol:	-107.82
Dipole, Da:	3.85
IP(EA), eV:	-8.8(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-chlorophenyl)pyrrolidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations