Geometry & MOs

Info

ID:	306683
PubChem CID:	125165294
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	346.191738
ΔH_f, kcal/mol:	-97.54
Dipole, Da:	4.27
IP(EA), eV:	-8.97(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R)-4-aminoazepan-1-yl]-4-[5-(4-fluorophenyl)tetrazol-2-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC(=O)N)C)C2=CC(=CC=C2)C(=O)NC[C@H]3CCCO3

DOS

IR

Vibrations