Geometry & MOs

Info

ID:	414718
PubChem CID:	135087677
Reduced:	N3O3C15H16 (2)
Stoich.:	A3B3C15D16 (2)
Weight, g/mol:	261.164126
ΔH_f, kcal/mol:	-157.14
Dipole, Da:	5.69
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)C5=NC(=NC6=C5CCCC6)N

DOS

IR

Vibrations