Geometry & MOs

Info

ID:	148009
PubChem CID:	53787671
Reduced:	O7N8C47H62 (1)
Stoich.:	A7B8C47D62 (1)
Weight, g/mol:	358.267194
ΔH_f, kcal/mol:	-250.66
Dipole, Da:	6.15
IP(EA), eV:	-9.07(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]cyclohexyl]benzene

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)N(C)CC3=CC=CC=N3)OCOC(=O)C)NC(=O)N(C)CC4=CC=CC=N4

DOS

IR

Vibrations