Geometry & MOs

Info

ID:	184626
PubChem CID:	77185280
Reduced:	BrNOC31H36 (1)
Stoich.:	ABCD31E36 (1)
Weight, g/mol:	593.300205
ΔH_f, kcal/mol:	3.6
Dipole, Da:	3.64
IP(EA), eV:	-9.07(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)(C1CC2=C(C=CC(=C2)Br)C(C1=NC(C)C3=CC=CC=C3)(C)CC4=CC=CC=C4)O

DOS

IR

Vibrations