Geometry & MOs

Info

ID:	169526
PubChem CID:	75117365
Reduced:	O5N7C27H43 (1)
Stoich.:	A5B7C27D43 (1)
Weight, g/mol:	422.08412
ΔH_f, kcal/mol:	-216.25
Dipole, Da:	1.12
IP(EA), eV:	-8.95(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-(3,5-dimethylpiperidin-1-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCNCC2

DOS

IR

Vibrations