Geometry & MOs

Info

ID:	360252
PubChem CID:	127300895
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-71.37
Dipole, Da:	5.24
IP(EA), eV:	-9.05(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[4-[(1-propylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3CCN(CC3)C(=O)C

DOS

IR

Vibrations