Geometry & MOs

Info

ID:	428591
PubChem CID:	135167714
Reduced:	N7O10C49H63 (1)
Stoich.:	A7B10C49D63 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	-383.7
Dipole, Da:	10.74
IP(EA), eV:	-8.2(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-bromophenyl)propoxy]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(C)C2=C(N(C3=CC=CC=C32)C(C)C4CCN(CC4)C(=O)COCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C)C

DOS

IR

Vibrations