Geometry & MOs

Info

ID:	367252
PubChem CID:	127324029
Reduced:	ON5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-6.48
Dipole, Da:	4.55
IP(EA), eV:	-7.95(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[(6-methylpyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(CNC(=O)NC1CCN(C1)C2CC2)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations