Geometry & MOs

Info

ID:	185894
PubChem CID:	77366222
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	355.108754
ΔH_f, kcal/mol:	-6.21
Dipole, Da:	3.18
IP(EA), eV:	-8.99(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroanilino)-4,4-dimethyl-1,2,3a,9b-tetrahydrochromeno[4,3-d][1,3]oxazole-8-carbonitrile

Drug info:

PubChemData

Smile

CC=C(C1=CN(N=C1)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations