Geometry & MOs

Info

ID:	439523
PubChem CID:	135229299
Reduced:	O3N7C23H25 (1)
Stoich.:	A3B7C23D25 (1)
Weight, g/mol:	503.239576
ΔH_f, kcal/mol:	9.84
Dipole, Da:	5.33
IP(EA), eV:	-7.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]acetate

Drug info:

PubChemData

Smile

CC(C)C1=CN=C2N1C(=O)N(C=C2NC3=CN(N=C3OC)C)C4=CC=CC(=C4)NC(=O)C=C

DOS

IR

Vibrations