Geometry & MOs

Info

ID:	314003
PubChem CID:	126619493
Reduced:	N3C17H21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	59.49
Dipole, Da:	7.82
IP(EA), eV:	-8.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-(5-methyl-3-methylidenedecyl)phenol

Drug info:

PubChemData

Smile

CC1=C[C@@H](CC1)N2CCN(CC2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations