Geometry & MOs

Info

ID:	415236
PubChem CID:	135088228
Reduced:	O2N3C18H23 (2)
Stoich.:	A2B3C18D23 (2)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-121.97
Dipole, Da:	11.31
IP(EA), eV:	-9.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)CC4=CC=NC=C4

DOS

IR

Vibrations