Geometry & MOs

Info

ID:	159384
PubChem CID:	57269785
Reduced:	NF2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	381.207072
ΔH_f, kcal/mol:	-62.99
Dipole, Da:	1.08
IP(EA), eV:	-8.55(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-chloro-3-(diethylamino)-4-oxo-4-phenylbutyl] heptanoate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC2=C(C=CC=C2F)F

DOS

IR

Vibrations