Geometry & MOs

Info

ID:	151100
PubChem CID:	53790798
Reduced:	SF3N4O7C19H19 (1)
Stoich.:	AB3C4D7E19F19 (1)
Weight, g/mol:	186.079313
ΔH_f, kcal/mol:	-295.12
Dipole, Da:	10.29
IP(EA), eV:	-9.2(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-imino-1-benzazepin-4-yl)methanol

Drug info:

PubChemData

Smile

CN1CN(CN(C1)C(=O)OC)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations