Geometry & MOs

Info

ID:	416883
PubChem CID:	135090673
Reduced:	N3O5C15H23 (1)
Stoich.:	A3B5C15D23 (1)
Weight, g/mol:	395.170588
ΔH_f, kcal/mol:	-196.07
Dipole, Da:	1.7
IP(EA), eV:	-8.89(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-4-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=C(NN=C3)C(=O)O)O

DOS

IR

Vibrations