Geometry & MOs

Info

ID:	347482
PubChem CID:	127272337
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	3.3
IP(EA), eV:	-9.1(-0.11)
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-(oxolan-2-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations