Geometry & MOs

Info

ID:	126218
PubChem CID:	50955607
Reduced:	N7H15C16 (1)
Stoich.:	A7B15C16 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	147.18
Dipole, Da:	3.65
IP(EA), eV:	-9.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethoxy)-1-[2-(1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=N1)C2=NC=NN2)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations