Geometry & MOs

Info

ID:	357033
PubChem CID:	127293102
Reduced:	O2N3C19H33 (1)
Stoich.:	A2B3C19D33 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-136.07
Dipole, Da:	3.13
IP(EA), eV:	-8.74(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1CCN(C1)C2CCCC2)NC(=O)C3CCCC3

DOS

IR

Vibrations