Geometry & MOs

Info

ID:	309322
PubChem CID:	126544813
Reduced:	O2N6C11H26 (2)
Stoich.:	A2B6C11D26 (2)
Weight, g/mol:	474.226705
ΔH_f, kcal/mol:	-96.38
Dipole, Da:	4.85
IP(EA), eV:	-8.96(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1'-[[4-(4-hydroxybutyl)isoquinolin-3-yl]methyl]-2'-oxospiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate

Drug info:

PubChemData

Smile

CCCCON([C@@H](CCCNC(N)N)C=O)N([C@@H](CCCNC(N)N)C=O)N[C@@H](CCCNC(N)N)C=O

DOS

IR

Vibrations