Geometry & MOs

Info

ID:	323790
PubChem CID:	126676185
Reduced:	O2N5C24H33 (1)
Stoich.:	A2B5C24D33 (1)
Weight, g/mol:	393.303165
ΔH_f, kcal/mol:	-5.42
Dipole, Da:	3.44
IP(EA), eV:	-8.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3-methyl-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C=C)/C(=C/C=C)/O[C@H]1CCC[C@@H]1NC(=O)C2=C(N=CC(=C2)/C(=C/N)/C=NC)N

DOS

IR

Vibrations