Geometry & MOs

Info

ID:	48012
PubChem CID:	10536414
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	211.1361
ΔH_f, kcal/mol:	-140.05
Dipole, Da:	4.56
IP(EA), eV:	-9.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4aS,9aR)-1,2,3,4,9,9a-hexahydrofluoren-4a-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N2C=CC(=O)NC2=O)O

DOS

IR

Vibrations