Geometry & MOs

Info

ID:	406100
PubChem CID:	135076534
Reduced:	BrSe4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	425.12316
ΔH_f, kcal/mol:	53.69
Dipole, Da:	1.57
IP(EA), eV:	-8.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(3aR,7aR)-2-oxo-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-1-(4-bromophenyl)methanimine

Drug info:

PubChemData

Smile

CC1=C[Se]C2=C1[Se]C(=C2C)C3=C(C4=C([Se]3)C(=C([Se]4)Br)C)C

DOS

IR

Vibrations