Geometry & MOs

Info

ID:	49670
PubChem CID:	11533500
Reduced:	O3N4C30H40 (1)
Stoich.:	A3B4C30D40 (1)
Weight, g/mol:	504.217971
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	2.96
IP(EA), eV:	-8.9(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-[(4-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]carbamoyl]phenyl]methyl benzoate

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)N1CCN(CC1)C(C)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OCC

DOS

IR

Vibrations