Geometry & MOs

Info

ID:	161971
PubChem CID:	57393199
Reduced:	N2H7C9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	125.99
Dipole, Da:	1.11
IP(EA), eV:	-9.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]isoquinolin-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)N3C=CN=C3)N4C=CN=C4

DOS

IR

Vibrations