Geometry & MOs

Info

ID:	75413
PubChem CID:	48423444
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-31.31
Dipole, Da:	7.73
IP(EA), eV:	-8.95(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=NN=C3N2CCCCC3)OCC4CC4

DOS

IR

Vibrations