Geometry & MOs

Info

ID:	350367
PubChem CID:	127277445
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	15.66
Dipole, Da:	7.66
IP(EA), eV:	-8.27(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=O)C2=C3N=C(C=CN3N=C2)C

DOS

IR

Vibrations