Geometry & MOs

Info

ID:	423868
PubChem CID:	135120543
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	318.18559
ΔH_f, kcal/mol:	-122.55
Dipole, Da:	3.88
IP(EA), eV:	-8.16(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2CCC[C@@]3(C2)CCC[C@H]3OC)OC

DOS

IR

Vibrations