Geometry & MOs

Info

ID:	360232
PubChem CID:	127300875
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-66.61
Dipole, Da:	1.33
IP(EA), eV:	-8.88(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)CNC(=O)CC3CCCC3

DOS

IR

Vibrations