Geometry & MOs

Info

ID:	246626
PubChem CID:	103061557
Reduced:	ClO2N6C9H9 (1)
Stoich.:	AB2C6D9E9 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	4.23
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)oxan-4-ol

Drug info:

PubChemData

Smile

C1=C(N=CC(=N1)NN)CN2C=C(C(=O)NC2=O)Cl

DOS

IR

Vibrations