Geometry & MOs

Info

ID:	237106
PubChem CID:	92717358
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	315.231063
ΔH_f, kcal/mol:	15.51
Dipole, Da:	2.41
IP(EA), eV:	-9.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)[C@@H](C)C(=O)N(CC=C)C3=CC=CC=C3

DOS

IR

Vibrations