Geometry & MOs

Info

ID:	204911
PubChem CID:	80029537
Reduced:	O2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-49.45
Dipole, Da:	3.79
IP(EA), eV:	-8.74(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(oxolan-3-ylmethoxy)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(CO)CO)N)C#N

DOS

IR

Vibrations