Geometry & MOs

Info

ID:	347438
PubChem CID:	127272287
Reduced:	NOC6H11 (3)
Stoich.:	ABC6D11 (3)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-164.81
Dipole, Da:	3.72
IP(EA), eV:	-8.92(1.19)
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-[(2-methylpyrimidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)NC3CCOCC3

DOS

IR

Vibrations