Geometry & MOs

Info

ID:	68187
PubChem CID:	46507927
Reduced:	F3N4O4H19C20 (1)
Stoich.:	A3B4C4D19E20 (1)
Weight, g/mol:	303.174691
ΔH_f, kcal/mol:	-196.55
Dipole, Da:	5.11
IP(EA), eV:	-9.43(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations