Geometry & MOs

Info

ID:	322889
PubChem CID:	126671537
Reduced:	ClFSO6N10C53H60 (1)
Stoich.:	ABCD6E10F53G60 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-185.12
Dipole, Da:	13.22
IP(EA), eV:	-8.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(cyclopentyloxymethyl)phenyl]-N-methylaniline

Drug info:

Smile

CC1=C(NC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOC4=CC(=C(C=C4)F)CCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C)C8=CC=C(C=C8)Cl)C

DOS

IR

Vibrations