Geometry & MOs

Info

ID:	342081
PubChem CID:	127264794
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	311.144533
ΔH_f, kcal/mol:	-21.59
Dipole, Da:	2.92
IP(EA), eV:	-9.18(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-difluoroethyl)-4-[3-(2-nitrophenyl)prop-2-enyl]piperazine

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)CN2CCCC2C(=O)NC

DOS

IR

Vibrations