Geometry & MOs

Info

ID:	175342
PubChem CID:	75885275
Reduced:	O2N4C15H25 (1)
Stoich.:	A2B4C15D25 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	2.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.961058
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxypropan-2-yl)-3-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(COC)NC(=O)NCC1=C[NH+]=C(C=C1)N2CCCC2

DOS

IR

Vibrations