Geometry & MOs

Info

ID:	417610
PubChem CID:	135102228
Reduced:	FNO4C22H24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-196.55
Dipole, Da:	5.39
IP(EA), eV:	-9.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)C(=O)C2=CC=CC=C2C3=CC=CC=C3F)C(=O)O

DOS

IR

Vibrations