Geometry & MOs

Info

ID:	122199
PubChem CID:	50797781
Reduced:	FO2N5H26C30 (1)
Stoich.:	AB2C5D26E30 (1)
Weight, g/mol:	388.130218
ΔH_f, kcal/mol:	27.65
Dipole, Da:	5.66
IP(EA), eV:	-8.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one

Drug info:

PubChemData

Smile

CC1=NN(C2=C1CN(C(C3=CC=CN32)C4=CC(=CC=C4)F)C(=O)NC5=CC=CC=C5OC)C6=CC=CC=C6

DOS

IR

Vibrations