Geometry & MOs

Info

ID:	172413
PubChem CID:	75506186
Reduced:	FO2N3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-33.31
Dipole, Da:	2.04
IP(EA), eV:	-9.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutan-2-yl)-2-(4-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)NC2=C(C=C(C=C2)F)N3C=CC=C3

DOS

IR

Vibrations