Geometry & MOs

Info

ID:	51969
PubChem CID:	12014740
Reduced:	NOH12C13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	-9.36
Dipole, Da:	5.66
IP(EA), eV:	-9.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aR,9bR)-2-oxo-9b-phenyl-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-4a-yl]-3-[(2-methoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

C1C[C@]2(CC3=CC=CC=C3[C@]2(NC1=O)C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations