Geometry & MOs

Info

ID:	126027
PubChem CID:	50948924
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	347.268511
ΔH_f, kcal/mol:	-134.47
Dipole, Da:	3.48
IP(EA), eV:	-9.76(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-(diethylamino)cyclohexyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@@H]1[C@H]2[C@H](C(=O)N(C2=O)C)[C@](N1)(C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations