Geometry & MOs

Info

ID:	151073
PubChem CID:	53790770
Reduced:	SN3O6C25H27 (1)
Stoich.:	AB3C6D25E27 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-96.57
Dipole, Da:	8.87
IP(EA), eV:	-9.76(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(7-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydropyridin-6-imine

Drug info:

PubChemData

Smile

CC1=C(C(C(=CCS(=O)(=O)N(C)CC2=CC=CC=C2)C(=N1)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations