Geometry & MOs

Info

ID:	126249
PubChem CID:	50957285
Reduced:	O2N6C17H28 (1)
Stoich.:	A2B6C17D28 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-48.73
Dipole, Da:	5.51
IP(EA), eV:	-9.01(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2-methylpropylamino)-2-oxoacetyl]-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1CCN2CCNC(=O)C2)CN[C@H]3CCCCNC3=O

DOS

IR

Vibrations