Geometry & MOs

Info

ID:	421411
PubChem CID:	135115942
Reduced:	N2C11H16 (2)
Stoich.:	A2B11C16 (2)
Weight, g/mol:	352.073846
ΔH_f, kcal/mol:	22.3
Dipole, Da:	1.64
IP(EA), eV:	-8.19(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=N2)N3CCN(C4(C3)CCN(CC4)C)C)C)C

DOS

IR

Vibrations