Geometry & MOs

Info

ID:	250015
PubChem CID:	103093544
Reduced:	NF2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-84.51
Dipole, Da:	2.82
IP(EA), eV:	-8.97(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=C(C=C(C=C1)F)F)/C

DOS

IR

Vibrations