Geometry & MOs

Info

ID:	237107
PubChem CID:	92717371
Reduced:	ON3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	315.231063
ΔH_f, kcal/mol:	-54.59
Dipole, Da:	3.72
IP(EA), eV:	-8.38(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(3,5-dimethylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC[C@@H]2CCN(C2)C3CCCC3)C

DOS

IR

Vibrations