Geometry & MOs

Info

ID:	186016
PubChem CID:	77380276
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	329.175595
ΔH_f, kcal/mol:	-180.98
Dipole, Da:	4.5
IP(EA), eV:	-9.1(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-aminohexyl 3-cyclohexyl-2-(phosphorosooxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC1(CN(C(=O)NC1=O)C2CC(C(O2)C)O)NCCC3=CC=CC=C3C

DOS

IR

Vibrations