Geometry & MOs

Info

ID:	368998
PubChem CID:	127331102
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	3.55
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-[(1-propylpiperidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)CNC(=O)N(C)CC2=NC=CN=C2

DOS

IR

Vibrations