Geometry & MOs

Info

ID:	217191
PubChem CID:	85087402
Reduced:	FNO2C21H24 (1)
Stoich.:	ABC2D21E24 (1)
Weight, g/mol:	341.220223
ΔH_f, kcal/mol:	-113.38
Dipole, Da:	2.58
IP(EA), eV:	-9.16(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxy]propan-1-amine

Drug info:

PubChemData

Smile

CC1CN(CCC1(C)C2=CC(=CC=C2)O)C(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations