Geometry & MOs

Info

ID:	311079
PubChem CID:	126589217
Reduced:	N4O6C27H38 (1)
Stoich.:	A4B6C27D38 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-254.72
Dipole, Da:	4.6
IP(EA), eV:	-8.65(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)propyl carbamate

Drug info:

PubChemData

Smile

C/C=C\C1=C(C(C2=CC=CC=C21)COC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCCCC(=O)O)C

DOS

IR

Vibrations