Geometry & MOs

Info

ID:	330175
PubChem CID:	127247162
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	-34.79
Dipole, Da:	2.52
IP(EA), eV:	-8.54(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-1-yl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)C3CCN(CC3)C(C)C

DOS

IR

Vibrations