Geometry & MOs

Info

ID:	49029
PubChem CID:	11528631
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-47.67
Dipole, Da:	2.2
IP(EA), eV:	-9.42(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[(2S)-1-hydroxybutan-2-yl]amino]acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC/C=C/CO/C=C/CO

DOS

IR

Vibrations