Geometry & MOs

Info

ID:	188858
PubChem CID:	77775337
Reduced:	ClFO2N5C22H23 (1)
Stoich.:	ABC2D5E22F23 (1)
Weight, g/mol:	357.124405
ΔH_f, kcal/mol:	-50.79
Dipole, Da:	3.86
IP(EA), eV:	-9.34(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(7-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C2C(=C(N(N2)CC3=CC=C(C=C3)C4=NC(=CC=C4)F)Cl)C(=O)N(C1=O)C

DOS

IR

Vibrations