Geometry & MOs

Info

ID:	198701
PubChem CID:	79138423
Reduced:	FNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	4.28
IP(EA), eV:	-9.43(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CN)C(C2=CC=CC=C2F)O

DOS

IR

Vibrations