Geometry & MOs

Info

ID:	143123
PubChem CID:	53150078
Reduced:	N2O3C26H32 (1)
Stoich.:	A2B3C26D32 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-108.07
Dipole, Da:	3.92
IP(EA), eV:	-9.19(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[4-[[1-(thiophene-3-carbonyl)piperidin-3-yl]methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)COC3=CC=C(C=C3)C(=O)N4CCCC4)C

DOS

IR

Vibrations