Geometry & MOs

Info

ID:	350359
PubChem CID:	127277437
Reduced:	N2O3C12H20 (1)
Stoich.:	A2B3C12D20 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-151.66
Dipole, Da:	4.03
IP(EA), eV:	-9.56(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCCOC2)C(=O)N

DOS

IR

Vibrations