Geometry & MOs

Info

ID:	371987
PubChem CID:	131284415
Reduced:	NO5C8H13 (1)
Stoich.:	AB5C8D13 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-219.08
Dipole, Da:	4.44
IP(EA), eV:	-10.09(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-8-methoxy-1,2,3,4-tetrahydro-1-benzazepine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1C(=O)OCC(=O)N1CC(CO)O

DOS

IR

Vibrations