Geometry & MOs

Info

ID:	185183
PubChem CID:	77266905
Reduced:	FN3O5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	435.198048
ΔH_f, kcal/mol:	-186.65
Dipole, Da:	5.83
IP(EA), eV:	-9.22(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[[2-methyl-1-[(4-thiophen-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1O)CC2=CC(=NC3=C2C=CC=C3F)C(=O)NC4CCOCC4O

DOS

IR

Vibrations