Geometry & MOs

Info

ID:	126371
PubChem CID:	50962343
Reduced:	N3O4C16H27 (1)
Stoich.:	A3B4C16D27 (1)
Weight, g/mol:	371.175753
ΔH_f, kcal/mol:	-200.29
Dipole, Da:	7.13
IP(EA), eV:	-9.47(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-4-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CN(C)[C@@H]1C[C@H](N(C1)C(=O)CCC(=O)NC2CCCC2)C(=O)O

DOS

IR

Vibrations