Geometry & MOs

Info

ID:	347402
PubChem CID:	127272251
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-36.52
Dipole, Da:	3.1
IP(EA), eV:	-8.31(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC(=C2)CNC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations