Geometry & MOs

Info

ID:	191473
PubChem CID:	78150153
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	427.247107
ΔH_f, kcal/mol:	-132.76
Dipole, Da:	10.48
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations