Geometry & MOs

Info

ID:	188559
PubChem CID:	77733885
Reduced:	NO3C6H9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-259.4
Dipole, Da:	7.17
IP(EA), eV:	-10.29(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[1-(isoquinolin-1-ylamino)-2-methylpropan-2-yl]amino]acetyl]pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(C(=O)O)(C1(CCC2C1(C2C(=O)O)C(=O)N)N)O

DOS

IR

Vibrations