Geometry & MOs

Info

ID:	372364
PubChem CID:	131296602
Reduced:	OF2N2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	211.076392
ΔH_f, kcal/mol:	-104.7
Dipole, Da:	2.49
IP(EA), eV:	-9.23(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(F)F)O)C(C#N)N

DOS

IR

Vibrations