Geometry & MOs

Info

ID:	189220
PubChem CID:	77828819
Reduced:	ClFO3N4H22C31 (1)
Stoich.:	ABC3D4E22F31 (1)
Weight, g/mol:	280.193949
ΔH_f, kcal/mol:	-5.13
Dipole, Da:	2.18
IP(EA), eV:	-9.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-2-(benzylamino)acetonitrile

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(CC2=CC=C(C=C2)C3=CC(=C(C=C3)F)Cl)NC(=O)C4=C(C=CC(=C4)C5=CC=C(C=C5)C#N)O

DOS

IR

Vibrations