Geometry & MOs

Info

ID:	291566
PubChem CID:	113444351
Reduced:	N3O4H11C12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-7.57
Dipole, Da:	3.64
IP(EA), eV:	-9.97(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[methyl(oxolan-2-ylmethyl)amino]benzonitrile

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)O)C2=C(C=CC(=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations