Geometry & MOs

Info

ID:	168739
PubChem CID:	75012212
Reduced:	SO3N4C27H40 (1)
Stoich.:	AB3C4D27E40 (1)
Weight, g/mol:	473.16779
ΔH_f, kcal/mol:	-98.64
Dipole, Da:	7.36
IP(EA), eV:	-8.53(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]pyrrolidin-3-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1CCN(C1)CC2=CC=C(C=C2)OCCCN(C)C)NC(=O)C3=CC=CS3

DOS

IR

Vibrations