Geometry & MOs

Info

ID:	410733
PubChem CID:	135083534
Reduced:	NO3C7H11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	185.084064
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	2.85
IP(EA), eV:	-10.04(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-isocyano-2,2-dimethylchromene

Drug info:

PubChemData

Smile

C=CC[C@@H]([C@H](C=O)NC=O)O

DOS

IR

Vibrations