Geometry & MOs

Info

ID:	53343
PubChem CID:	14710519
Reduced:	N2S2O8C23H30 (1)
Stoich.:	A2B2C8D23E30 (1)
Weight, g/mol:	192.162649
ΔH_f, kcal/mol:	-279.58
Dipole, Da:	8.61
IP(EA), eV:	-9.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-pyrrolidin-1-ylcyclohexyl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2COCC3(O2)COCC(O3)CNS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations