Geometry & MOs

Info

ID:	149859
PubChem CID:	53789538
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	234.198365
ΔH_f, kcal/mol:	87.71
Dipole, Da:	9.77
IP(EA), eV:	-7.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylheptyl)-4-methoxybenzene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C=C2C3=CNC=C3C4=CN(C5=C4C=CC(=C5)[N+](=O)[O-])C)C

DOS

IR

Vibrations