Geometry & MOs

Info

ID:	80942
PubChem CID:	49853996
Reduced:	O2N5H15C19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	85.11
Dipole, Da:	9.27
IP(EA), eV:	-8.71(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[1-(1-oxo-2,3-dihydroinden-5-yl)piperidin-4-ylidene]amino]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3C=C2)NN=C4C=CC(=O)C=C4

DOS

IR

Vibrations