Geometry & MOs

Info

ID:	347069
PubChem CID:	127271573
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	5.95
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(C2)C(=O)NCCC3=COC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations