Geometry & MOs

Info

ID:	135817
PubChem CID:	51940255
Reduced:	FO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-74.89
Dipole, Da:	2.83
IP(EA), eV:	-9.1(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-cyanophenoxy)-N-[(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)[C@@H](C)OC2=CC(=CC=C2)F)C

DOS

IR

Vibrations