Geometry & MOs

Info

ID:	203939
PubChem CID:	79891541
Reduced:	NF2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	253.127821
ΔH_f, kcal/mol:	-193.93
Dipole, Da:	2.11
IP(EA), eV:	-9.92(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-but-2-ynoxy-3,5-difluorophenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)OC1=C(C=C(C=C1F)C=O)F

DOS

IR

Vibrations