Geometry & MOs

Info

ID:	85632
PubChem CID:	49877805
Reduced:	N3O6C22H23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	488.303893
ΔH_f, kcal/mol:	-163.58
Dipole, Da:	3.11
IP(EA), eV:	-8.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(N,N'-dicyclohexylcarbamimidoyl) 4-(4-pentanoylphenyl)benzoate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)N/N=C/C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations