Geometry & MOs

Info

ID:	205997
PubChem CID:	80187564
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-54.85
Dipole, Da:	7.52
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpyrrolidin-1-yl)-[1-(methylamino)isoquinolin-3-yl]methanone

Drug info:

PubChemData

Smile

CCNC1=C(C=CC(=C1)C(=O)N2CCC(C2)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations