Geometry & MOs

Info

ID:	252423
PubChem CID:	103111247
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-80.59
Dipole, Da:	4.66
IP(EA), eV:	-8.32(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(isoquinolin-1-ylamino)-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NC=CN(C1=O)CC(C)C

DOS

IR

Vibrations