Geometry & MOs

Info

ID:	44064
PubChem CID:	10500637
Reduced:	ClN6H19C21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	390.17102
ΔH_f, kcal/mol:	104.88
Dipole, Da:	2.16
IP(EA), eV:	-8.38(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]pyrrolidin-2-yl]-N-cyclohexyl-2-hydroxyacetamide

Drug info:

PubChemData

Smile

C1C(NC2=NC(=NC(=C2N=C1/C=C/C3=CC=CC=C3)N)N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations