Geometry & MOs

Info

ID:	146807
PubChem CID:	53753307
Reduced:	ClO3N6C21H25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-18.3
Dipole, Da:	7.22
IP(EA), eV:	-9.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,8-dimethylnona-3,7-dienyl)-2-methyl-3,4-dihydrochromen-6-ol

Drug info:

PubChemData

Smile

CCC(C)N1C2C(CCC(C2C#N)Cl)N3C=NC(=C3C1=O)C4=NOC(=N4)C5CCOC5

DOS

IR

Vibrations