Geometry & MOs

Info

ID:	44138
PubChem CID:	10501065
Reduced:	N2O5C21H38 (1)
Stoich.:	A2B5C21D38 (1)
Weight, g/mol:	398.297351
ΔH_f, kcal/mol:	-297.45
Dipole, Da:	4.79
IP(EA), eV:	-9.26(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-[4-[4-(3-butyl-1-bicyclo[1.1.1]pentanyl)phenyl]phenyl]bicyclo[1.1.1]pentane

Drug info:

PubChemData

Smile

CC[C@@H](C(C)(C)C(=O)N1CCC(CC1)CC(=O)OCC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations