Geometry & MOs

Info

ID:	342485
PubChem CID:	127265640
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	61.42
Dipole, Da:	4.51
IP(EA), eV:	-8.79(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)CN2CCN(CC2)CC#N

DOS

IR

Vibrations