Geometry & MOs

Info

ID:	420318
PubChem CID:	135112433
Reduced:	FO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	-74.5
Dipole, Da:	5.82
IP(EA), eV:	-8.83(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC(=NC=C2)NCCOC3=CC=CC=C3F)O

DOS

IR

Vibrations