Geometry & MOs

Info

ID:	75031
PubChem CID:	48422889
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-154.1
Dipole, Da:	8.69
IP(EA), eV:	-8.74(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=CC(=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations