Geometry & MOs

Info

ID:	191475
PubChem CID:	78150155
Reduced:	N3O3C25H35 (1)
Stoich.:	A3B3C25D35 (1)
Weight, g/mol:	479.314792
ΔH_f, kcal/mol:	-139.92
Dipole, Da:	10.55
IP(EA), eV:	-8.76(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-[[3-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-2-oxoethyl]cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)CC3CC(C(C=C3C)CNC(=O)CCCC(=O)O)C(C)C

DOS

IR

Vibrations