Geometry & MOs

Info

ID:	370221
PubChem CID:	127337789
Reduced:	ON9C15H19 (1)
Stoich.:	AB9C15D19 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	103.68
Dipole, Da:	4.11
IP(EA), eV:	-9.47(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]urea

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NN3C=NN=C3C=C2)C(=O)NCCN4C=CC=N4

DOS

IR

Vibrations