Geometry & MOs

Info

ID:	420624
PubChem CID:	135114457
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	334.180504
ΔH_f, kcal/mol:	-126.99
Dipole, Da:	3.85
IP(EA), eV:	-8.69(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl-methylamino]-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations