Geometry & MOs

Info

ID:	156038
PubChem CID:	56368863
Reduced:	ON3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	486.226705
ΔH_f, kcal/mol:	-4.14
Dipole, Da:	2.19
IP(EA), eV:	-8.67(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-3-phenylurea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2(CC2)C(=O)NC3=NNC(=C3)C(C)(C)C)C

DOS

IR

Vibrations