Geometry & MOs

Info

ID:	415629
PubChem CID:	135088628
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-174.67
Dipole, Da:	7.46
IP(EA), eV:	-9.6(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N(CCCO)CC2=CC=CC=C2

DOS

IR

Vibrations