Geometry & MOs

Info

ID:	347446
PubChem CID:	127272295
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	30.21
Dipole, Da:	4.68
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)CNC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations