Geometry & MOs

Info

ID:	350364
PubChem CID:	127277442
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	38.91
Dipole, Da:	7.33
IP(EA), eV:	-8.63(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C=C1)C(=O)NCC3CCN(C3)C4CC4

DOS

IR

Vibrations