Geometry & MOs

Info

ID:	423759
PubChem CID:	135120165
Reduced:	NSO5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-213.46
Dipole, Da:	5.75
IP(EA), eV:	-9.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations