Geometry & MOs

Info

ID:	312088
PubChem CID:	126602772
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	195.104799
ΔH_f, kcal/mol:	29.56
Dipole, Da:	4.76
IP(EA), eV:	-5.82(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3Z)-penta-1,3-dien-2-yl]isoquinoline

Drug info:

PubChemData

Smile

CC12CC3CC4(CC(C1)(C2(C3)C4)C)C(=O)NO

DOS

IR

Vibrations