Geometry & MOs

Info

ID:	429
PubChem CID:	2755
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	-12.03
Dipole, Da:	2.5
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations