Geometry & MOs

Info

ID:	126619
PubChem CID:	50970270
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	11.45
Dipole, Da:	4.34
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1H-pyrrol-2-yl]ethanone

Drug info:

PubChemData

Smile

CCN1CC(CC1=O)N2C=NC(=C2C3=NC4=C(C=CC=C4O)C=C3)C5=CC=CC=C5

DOS

IR

Vibrations