Geometry & MOs

Info

ID:	414551
PubChem CID:	135087510
Reduced:	ClN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-59.44
Dipole, Da:	3.86
IP(EA), eV:	-9.1(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine

Drug info:

PubChemData

Smile

CN1CCCC1CCNC2=NOC(=C2C(=O)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations