Geometry & MOs

Info

ID:	48085
PubChem CID:	10537056
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	223.110947
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	2.43
IP(EA), eV:	-9.88(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-2-pyridin-2-ylacetonitrile

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2C=C[C@@H](N2C(=O)OC)C(C1=O)(C)C

DOS

IR

Vibrations