Geometry & MOs

Info

ID:	375336
PubChem CID:	131500003
Reduced:	OSN3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	43.23
Dipole, Da:	2.23
IP(EA), eV:	-9.29(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-5-(hydroxymethyl)-7,8-dihydro-6H-naphthalen-2-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)C#N)C2=CN=C(S2)C)C=O

DOS

IR

Vibrations