Geometry & MOs

Info

ID:	232631
PubChem CID:	87576574
Reduced:	OSeC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	346.142976
ΔH_f, kcal/mol:	-23.23
Dipole, Da:	2.43
IP(EA), eV:	-8.18(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-anilinopyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbaldehyde

Drug info:

PubChemData

Smile

CCC(C)OC1=CC2=C(C=C1)[Se]C=C2

DOS

IR

Vibrations