Geometry & MOs

Info

ID:	418296
PubChem CID:	135104086
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	5.74
IP(EA), eV:	-8.43(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC=C(C=C3)N4CCCCC4)CO

DOS

IR

Vibrations