Geometry & MOs

Info

ID:	224004
PubChem CID:	85336840
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	447.225702
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	1.84
IP(EA), eV:	-8.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl N-[3-(7,15-dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl)prop-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC(=C1C2=C(C=CC=C2NC1=O)CCO)C3=CC4=C(N3)C=CC(=C4)OCCN5CCCCC5

DOS

IR

Vibrations