Geometry & MOs

Info

ID:	66454
PubChem CID:	46504600
Reduced:	N5O5C23H23 (1)
Stoich.:	A5B5C23D23 (1)
Weight, g/mol:	363.133139
ΔH_f, kcal/mol:	-114.6
Dipole, Da:	6.0
IP(EA), eV:	-8.99(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-4-(pyrrolidine-1-carbonyl)isoquinolin-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)NC(=O)C4=NC=CN=C4

DOS

IR

Vibrations