Geometry & MOs

Info

ID:	122204
PubChem CID:	50798103
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	380.130697
ΔH_f, kcal/mol:	-38.28
Dipole, Da:	8.07
IP(EA), eV:	-9.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-4-oxo-N-(thiophen-2-ylmethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2=NN3CCCN(C(=O)C3=C2)CC4=CC=CC=C4

DOS

IR

Vibrations