Geometry & MOs

Info

ID:	381348
PubChem CID:	134972057
Reduced:	ClPN3O4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-151.47
Dipole, Da:	7.7
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3Z)-5,5-dimethyl-9-[(4-nitrophenyl)methoxy]cycloundec-3-en-7-yn-1-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)NP3(=O)OCC(C(O3)C4=CC=C(C=C4)Cl)(C)C

DOS

IR

Vibrations