Geometry & MOs

Info

ID:	140591
PubChem CID:	52726682
Reduced:	Cl2N2O2C18H23 (1)
Stoich.:	A2B2C2D18E23 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-37.58
Dipole, Da:	3.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753150
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(CC[NH+](C)C)C(=O)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations