Geometry & MOs

Info

ID:	419551
PubChem CID:	135108408
Reduced:	NOC12H19 (2)
Stoich.:	ABC12D19 (2)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-99.79
Dipole, Da:	2.88
IP(EA), eV:	-8.2(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-ethylphenoxy)ethyl]-7-hydroxy-N-methyl-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCOC2=CC=CC=C2CN3CCC[C@@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations