Geometry & MOs

Info

ID:	58759
PubChem CID:	24714829
Reduced:	ON3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	345.174022
ΔH_f, kcal/mol:	-13.99
Dipole, Da:	4.96
IP(EA), eV:	-8.48(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1(C2CC=C(C1C2)CN(CCN3CCNCC3)C(=O)C4CC4)C

DOS

IR

Vibrations