Geometry & MOs

Info

ID:	58970
PubChem CID:	24769963
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	411.254022
ΔH_f, kcal/mol:	-65.08
Dipole, Da:	5.49
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2E,6E,10S,11E,13S)-13-hydroxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-yl] N-(2-chloroethyl)carbamate

Drug info:

PubChemData

Smile

CC1(C=CCN(O1)C2=NC=C(C=C2)C(=O)NCCO)C

DOS

IR

Vibrations