Geometry & MOs

Info

ID:	444609
PubChem CID:	135263020
Reduced:	N2O4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	539.278407
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	4.99
IP(EA), eV:	-8.99(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[1-[[(5-methylfuran-2-yl)-(4-methyl-2-piperidin-1-ylphenyl)methyl]carbamoyl]cyclopropyl]indol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(CN(C5)C(=O)COC)C=C4)C

DOS

IR

Vibrations