Geometry & MOs

Info

ID:	80077
PubChem CID:	49832678
Reduced:	SiN3O4C36H49 (1)
Stoich.:	AB3C4D36E49 (1)
Weight, g/mol:	381.196489
ΔH_f, kcal/mol:	-207.93
Dipole, Da:	4.91
IP(EA), eV:	-8.65(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[4-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCC2=CC(=C(C=C2)NC(=O)OC3CCN(CC3)C)C4=CC=CC=C4)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations