Geometry & MOs

Info

ID:	406101
PubChem CID:	135076553
Reduced:	BrOPN3C19H29 (1)
Stoich.:	ABCD3E19F29 (1)
Weight, g/mol:	277.18305
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	3.75
IP(EA), eV:	-8.97(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-benzhydrylhept-2-en-1-imine

Drug info:

PubChemData

Smile

CC(C)N1[C@@H]2CCCC[C@H]2N(P1(=O)/N=C/C3=CC=C(C=C3)Br)C(C)C

DOS

IR

Vibrations