Geometry & MOs

Info

ID:	218962
PubChem CID:	85090260
Reduced:	NF2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	436.351672
ΔH_f, kcal/mol:	-177.9
Dipole, Da:	4.87
IP(EA), eV:	-9.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-(difluoromethyl)-3,8-dimethyl-3-[(4S,8S)-4,8,12-trimethyltridecyl]-2,4-dihydrochromene

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C(F)F)OC

DOS

IR

Vibrations