Geometry & MOs

Info

ID:	445881
PubChem CID:	135269865
Reduced:	PN2O2C10H21 (1)
Stoich.:	AB2C2D10E21 (1)
Weight, g/mol:	479.314792
ΔH_f, kcal/mol:	-120.08
Dipole, Da:	0.82
IP(EA), eV:	-8.99(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[4-[[(3R,5S)-3,5-dimethyl-4-[[5-(morpholin-4-ylmethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazin-1-yl]methyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCN(CC1)P

DOS

IR

Vibrations