Geometry & MOs

Info

ID:	126103
PubChem CID:	50951807
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	41.18
Dipole, Da:	3.94
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=CC=N3)C#N

DOS

IR

Vibrations