Geometry & MOs

Info

ID:	150861
PubChem CID:	53790558
Reduced:	O2N3H16C17 (2)
Stoich.:	A2B3C16D17 (2)
Weight, g/mol:	362.318481
ΔH_f, kcal/mol:	17.64
Dipole, Da:	7.76
IP(EA), eV:	-8.55(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(18-hydroxyoctadecyl)phenol

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CCCC2=CC=C(C=C2)C(=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)NC5=CC=C(C=C5)C=CC6=CN=CN6

DOS

IR

Vibrations