Geometry & MOs

Info

ID:	83237
PubChem CID:	49857332
Reduced:	O3N5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-41.95
Dipole, Da:	8.79
IP(EA), eV:	-9.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-6-methoxy-2,2-dimethylchromene

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=C(N1)CCN(C2)C(=O)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations