Geometry & MOs

Info

ID:	417538
PubChem CID:	135099936
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	318.18559
ΔH_f, kcal/mol:	-100.11
Dipole, Da:	7.81
IP(EA), eV:	-8.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C1CCN(C1)C(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4)O

DOS

IR

Vibrations