Geometry & MOs

Info

ID:	204912
PubChem CID:	80029958
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	240.089878
ΔH_f, kcal/mol:	-39.58
Dipole, Da:	4.2
IP(EA), eV:	-8.91(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[3-(hydroxymethyl)phenoxy]benzonitrile

Drug info:

PubChemData

Smile

C1COCC1COC2=CC(=C(C=C2)C#N)N

DOS

IR

Vibrations