Geometry & MOs

Info

ID:	368738
PubChem CID:	127329973
Reduced:	ON5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	8.37
IP(EA), eV:	-9.38(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)NCC2CCC3=NN=C(N3C2)C

DOS

IR

Vibrations