Geometry & MOs

Info

ID:	281712
PubChem CID:	103914254
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	298.169271
ΔH_f, kcal/mol:	-93.32
Dipole, Da:	4.05
IP(EA), eV:	-9.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(COC1=CC=C(C=C1)C#N)O

DOS

IR

Vibrations