Geometry & MOs

Info

ID:	389716
PubChem CID:	134994616
Reduced:	NC14H25 (1)
Stoich.:	AB14C25 (1)
Weight, g/mol:	180.07212
ΔH_f, kcal/mol:	-11.82
Dipole, Da:	0.9
IP(EA), eV:	-8.67(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diimino-3,4-dihydro-1H-isothiochromene

Drug info:

PubChemData

Smile

CC1([C@@H]2C[C@H]1C(=C)[C@H](C2)NC(C)(C)C)C

DOS

IR

Vibrations