Geometry & MOs

Info

ID:	293315
PubChem CID:	117384167
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	-121.96
Dipole, Da:	4.97
IP(EA), eV:	-8.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-isocyanatocyclopentyl)-1-methylisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(CN)C(=O)O)O)CN(C)C

DOS

IR

Vibrations